1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine

C81H84ClF9N12O8S4 — CID 161261697

IUPAC1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine
SMILESCc1ccccc1S(=O)(=O)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1F)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21
InChIInChI=1S/C21H23F2N3O2S.C20H20ClF2N3O2S.C20H20F3N3O2S.C20H21F2N3O2S/c1-14-5-2-3-8-19(14)29(27,28)26-13-16(21(22)23)20-17(6-4-7-18(20)26)25-15-9-11-24-12-10-15;2*21-15-4-1-2-7-18(15)29(27,28)26-12-14(20(22)23)19-16(5-3-6-17(19)26)25-13-8-10-24-11-9-13;21-20(22)16-13-25(28(26,27)15-5-2-1-3-6-15)18-8-4-7-17(19(16)18)24-14-9-11-23-12-10-14/h2-8,13,15,21,24-25H,9-12H2,1H3;2*1-7,12-13,20,24-25H,8-11H2;1-8,13-14,20,23-24H,9-12H2
InChIKeyVCQFOMKIMMOJNR-UHFFFAOYSA-N
MW1688.34 g/mol
LogP17.02
Rot. Bonds20

About 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine

1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine (PubChem CID 161261697) has the molecular formula C81H84ClF9N12O8S4 and a molecular weight of 1688.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine
PubChem CID161261697
Molecular FormulaC81H84ClF9N12O8S4
Molecular Weight1688.34 g/mol
Exact Mass1686.50
IUPAC Name1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine
SMILESCc1ccccc1S(=O)(=O)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1F)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21
InChIInChI=1S/C21H23F2N3O2S.C20H20ClF2N3O2S.C20H20F3N3O2S.C20H21F2N3O2S/c1-14-5-2-3-8-19(14)29(27,28)26-13-16(21(22)23)20-17(6-4-7-18(20)26)25-15-9-11-24-12-10-15;2*21-15-4-1-2-7-18(15)29(27,28)26-12-14(20(22)23)19-16(5-3-6-17(19)26)25-13-8-10-24-11-9-13;21-20(22)16-13-25(28(26,27)15-5-2-1-3-6-15)18-8-4-7-17(19(16)18)24-14-9-11-23-12-10-14/h2-8,13,15,21,24-25H,9-12H2,1H3;2*1-7,12-13,20,24-25H,8-11H2;1-8,13-14,20,23-24H,9-12H2
InChIKeyVCQFOMKIMMOJNR-UHFFFAOYSA-N
XLogP17.02
TPSA252.52 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.34
LogP ≤ 517.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine with MolForge

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Related Compounds

Bis(4-cyclohexyl-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole);3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-4-piperidin-1-ylindole;1-(3-methylphenyl)sulfonyl-4-piperidin-1-yl-3-(2,2,2-trifluoroethyl)indole
CID 157894210
3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 160538619
1-(2-Chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole
CID 160883375
cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine
CID 160922957
5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide
CID 157188977
6-Chloro-1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole;6-chloro-3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-piperidin-1-ylindole;6-chloro-3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-4-piperidin-1-ylindole;4-cyclohexyl-3-(difluoromethyl)-1-(2-methylphenyl)sulfonylindole
CID 157623915
6-Chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole
CID 158105204
3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)indole;tris(3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine)
CID 158155274
N-(3-chlorophenyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonamide;2,5-dimethyl-N-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonamide;N-(3-fluorophenyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonamide;N-(3-fluorophenyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-sulfonamide;9-methyl-N-phenyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide
CID 158308763
4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indole;4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indole
CID 158572914
1-(Benzenesulfonyl)-3-(difluoromethyl)-4-piperidin-1-ylindole;1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-piperidin-1-ylindole
CID 158620435
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride
CID 158773689

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine?
The IUPAC name of 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine (CID 161261697) is 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine is Cc1ccccc1S(=O)(=O)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.O=S(=O)(c1ccccc1F)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine?
The InChIKey is VCQFOMKIMMOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2S.C20H20ClF2N3O2S.C20H20F3N3O2S.C20H21F2N3O2S/c1-14-5-2-3-8-19(14)29(27,28)26-13-16(21(22)23)20-17(6-4-7-18(20)26)25-15-9-11-24-12-10-15;2*21-15-4-1-2-7-18(15)29(27,28)26-12-14(20(22)23)19-16(5-3-6-17(19)26)25-13-8-10-24-11-9-13;21-20(22)16-13-25(28(26,27)15-5-2-1-3-6-15)18-8-4-7-17(19(16)18)24-14-9-11-23-12-10-14/h2-8,13,15,21,24-25H,9-12H2,1H3;2*1-7,12-13,20,24-25H,8-11H2;1-8,13-14,20,23-24H,9-12H2.
What are the key properties of 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine?
1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine has a molecular weight of 1688.34 g/mol, XLogP of 17.02, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine;3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine is sourced from PubChem (CID 161261697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).