4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

C23H26ClN3O3S — CID 25340624

IUPAC4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O3S/c1-16-10-12-27(13-11-16)23(28)22(14-17-15-25-21-5-3-2-4-20(17)21)26-31(29,30)19-8-6-18(24)7-9-19/h2-9,15-16,22,25-26H,10-14H2,1H3/t22-/m0/s1
InChIKeyATSPDDKGORSPGM-QFIPXVFZSA-N
MW460.00 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 25340624) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID25340624
Molecular FormulaC23H26ClN3O3S
Molecular Weight460.00 g/mol
Exact Mass459.14
IUPAC Name4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O3S/c1-16-10-12-27(13-11-16)23(28)22(14-17-15-25-21-5-3-2-4-20(17)21)26-31(29,30)19-8-6-18(24)7-9-19/h2-9,15-16,22,25-26H,10-14H2,1H3/t22-/m0/s1
InChIKeyATSPDDKGORSPGM-QFIPXVFZSA-N
XLogP3.97
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-3-chloro-N-(2-oxo-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrrolidin-3-yl)-1H-indole-6-sulfonamide
CID 11950083
1-(3-Chlorophenyl)sulfonyl-3-methyl-4-piperazin-1-ylindole
CID 44403304
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
CID 56944956
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 66800947
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 66803474
N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4782931
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-
CID 39760
5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide
CID 134821715
(S)-N-[(R)-1-Formyl-2-(1H-indol-3-yl)-ethyl]-3-methyl-2-(naphthalene-1-sulfonylamino)-butyramide
CID 44357044
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]-1H-indole-2-carboxamide
CID 74538732
5-chloro-3-(3,5-dimethylbenzenesulfonyl)-N-[1-(pyridin-4-yl)ethyl]-1H-indole-2-carboxamide
CID 118722694
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 118722695

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (CID 25340624) is 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is CC1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is ATSPDDKGORSPGM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c1-16-10-12-27(13-11-16)23(28)22(14-17-15-25-21-5-3-2-4-20(17)21)26-31(29,30)19-8-6-18(24)7-9-19/h2-9,15-16,22,25-26H,10-14H2,1H3/t22-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 460.00 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25340624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).