1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C23H28ClN3O3S — CID 55508757

IUPAC1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc2CC1C
InChIInChI=1S/C23H28ClN3O3S/c1-16-13-19-14-22(7-8-23(19)27(16)17(2)28)31(29,30)25-21-9-11-26(12-10-21)15-18-3-5-20(24)6-4-18/h3-8,14,16,21,25H,9-13,15H2,1-2H3
InChIKeyBYGVSVASKWGEMI-UHFFFAOYSA-N
MW462.02 g/mol
LogP3.58
Rot. Bonds5

About 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55508757) has the molecular formula C23H28ClN3O3S and a molecular weight of 462.02 g/mol. Its IUPAC name is 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55508757
Molecular FormulaC23H28ClN3O3S
Molecular Weight462.02 g/mol
Exact Mass461.15
IUPAC Name1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc2CC1C
InChIInChI=1S/C23H28ClN3O3S/c1-16-13-19-14-22(7-8-23(19)27(16)17(2)28)31(29,30)25-21-9-11-26(12-10-21)15-18-3-5-20(24)6-4-18/h3-8,14,16,21,25H,9-13,15H2,1-2H3
InChIKeyBYGVSVASKWGEMI-UHFFFAOYSA-N
XLogP3.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.02
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-acetyl-N-[2-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119985860
1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 15996791
1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20963981
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 41051661
1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119983821
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 93072300
(3R)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 92687756

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 55508757) is 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc2CC1C.
What is the InChIKey of 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BYGVSVASKWGEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3S/c1-16-13-19-14-22(7-8-23(19)27(16)17(2)28)31(29,30)25-21-9-11-26(12-10-21)15-18-3-5-20(24)6-4-18/h3-8,14,16,21,25H,9-13,15H2,1-2H3.
What are the key properties of 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 462.02 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55508757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).