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

C69H78Cl4N12O8S4 — CID 158572914

IUPAC4-[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
SMILESO=S(=O)(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C19H20ClN3O2S.C18H18ClN3O2S.C17H22ClN3O2S.C15H18ClN3O2S/c20-16-12-18-17(6-7-21-18)19(13-16)22-8-10-23(11-9-22)26(24,25)14-15-4-2-1-3-5-15;19-14-12-17-16(6-7-20-17)18(13-14)21-8-10-22(11-9-21)25(23,24)15-4-2-1-3-5-15;18-13-11-16-15(5-6-19-16)17(12-13)20-7-9-21(10-8-20)24(22,23)14-3-1-2-4-14;16-11-9-14-13(3-4-17-14)15(10-11)18-5-7-19(8-6-18)22(20,21)12-1-2-12/h1-7,12-13,21H,8-11,14H2;1-7,12-13,20H,8-11H2;5-6,11-12,14,19H,1-4,7-10H2;3-4,9-10,12,17H,1-2,5-8H2
InChIKeyHSHNYCUMEONVLY-UHFFFAOYSA-N
MW1473.54 g/mol
LogP12.46
Rot. Bonds13

About 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

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 (PubChem CID 158572914) has the molecular formula C69H78Cl4N12O8S4 and a molecular weight of 1473.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158572914
Molecular FormulaC69H78Cl4N12O8S4
Molecular Weight1473.54 g/mol
Exact Mass1470.37
IUPAC Name4-[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
SMILESO=S(=O)(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C19H20ClN3O2S.C18H18ClN3O2S.C17H22ClN3O2S.C15H18ClN3O2S/c20-16-12-18-17(6-7-21-18)19(13-16)22-8-10-23(11-9-22)26(24,25)14-15-4-2-1-3-5-15;19-14-12-17-16(6-7-20-17)18(13-14)21-8-10-22(11-9-21)25(23,24)15-4-2-1-3-5-15;18-13-11-16-15(5-6-19-16)17(12-13)20-7-9-21(10-8-20)24(22,23)14-3-1-2-4-14;16-11-9-14-13(3-4-17-14)15(10-11)18-5-7-19(8-6-18)22(20,21)12-1-2-12/h1-7,12-13,21H,8-11,14H2;1-7,12-13,20H,8-11H2;5-6,11-12,14,19H,1-4,7-10H2;3-4,9-10,12,17H,1-2,5-8H2
InChIKeyHSHNYCUMEONVLY-UHFFFAOYSA-N
XLogP12.46
TPSA225.64 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.54
LogP ≤ 512.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indole;4-(1H-indol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indol-4-yl)piperazine-1-sulfonamide;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indole
CID 157683829
6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole
CID 157253297
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide
CID 157299475
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindole;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 157644215
6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole
CID 158130735
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide
CID 158134378
6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole
CID 158277167
6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone
CID 158501900
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
1-[4-(6-chloro-1H-indol-4-yl)-1,4-diazepan-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)-2-methylpiperazin-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole
CID 158915052
2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole
CID 159347192
benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridine;1-(benzenesulfonyl)-5-oxidopyrrolo[3,2-c]pyridin-5-ium;1-(benzenesulfonyl)pyrrolo[3,2-c]pyridine;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine
CID 159404404

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=S(=O)(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.
What is the InChIKey of 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?
The InChIKey is HSHNYCUMEONVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S.C18H18ClN3O2S.C17H22ClN3O2S.C15H18ClN3O2S/c20-16-12-18-17(6-7-21-18)19(13-16)22-8-10-23(11-9-22)26(24,25)14-15-4-2-1-3-5-15;19-14-12-17-16(6-7-20-17)18(13-14)21-8-10-22(11-9-21)25(23,24)15-4-2-1-3-5-15;18-13-11-16-15(5-6-19-16)17(12-13)20-7-9-21(10-8-20)24(22,23)14-3-1-2-4-14;16-11-9-14-13(3-4-17-14)15(10-11)18-5-7-19(8-6-18)22(20,21)12-1-2-12/h1-7,12-13,21H,8-11,14H2;1-7,12-13,20H,8-11H2;5-6,11-12,14,19H,1-4,7-10H2;3-4,9-10,12,17H,1-2,5-8H2.
What are the key properties of 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?
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 has a molecular weight of 1473.54 g/mol, XLogP of 12.46, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158572914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).