N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine

C24H28FN3O2S — CID 25222495

IUPACN-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine
SMILESCN1CCC(N(CC2CC2)c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O2S/c1-26-14-11-20(12-15-26)27(17-18-5-6-18)23-3-2-4-24-22(23)13-16-28(24)31(29,30)21-9-7-19(25)8-10-21/h2-4,7-10,13,16,18,20H,5-6,11-12,14-15,17H2,1H3
InChIKeyFRKFAEGAWYLZGC-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.33
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine

N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine (PubChem CID 25222495) has the molecular formula C24H28FN3O2S and a molecular weight of 441.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine
PubChem CID25222495
Molecular FormulaC24H28FN3O2S
Molecular Weight441.57 g/mol
Exact Mass441.19
IUPAC NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine
SMILESCN1CCC(N(CC2CC2)c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O2S/c1-26-14-11-20(12-15-26)27(17-18-5-6-18)23-3-2-4-24-22(23)13-16-28(24)31(29,30)21-9-7-19(25)8-10-21/h2-4,7-10,13,16,18,20H,5-6,11-12,14-15,17H2,1H3
InChIKeyFRKFAEGAWYLZGC-UHFFFAOYSA-N
XLogP4.33
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 143603060
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CID 24965682
1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
CID 23624297
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
(5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973365
4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline
CID 168963226
1-(benzenesulfonyl)-4-(1,4-dimethylpiperazin-2-yl)indole;bis(2,2,2-trifluoroacetic acid)
CID 87546628
4-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10004719
1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine
CID 162666403
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
6-(4-chloroindol-1-yl)sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 141293458

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine (CID 25222495) is N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine is CN1CCC(N(CC2CC2)c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine?
The InChIKey is FRKFAEGAWYLZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2S/c1-26-14-11-20(12-15-26)27(17-18-5-6-18)23-3-2-4-24-22(23)13-16-28(24)31(29,30)21-9-7-19(25)8-10-21/h2-4,7-10,13,16,18,20H,5-6,11-12,14-15,17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine?
N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine has a molecular weight of 441.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine is sourced from PubChem (CID 25222495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).