1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide

C21H25N3O3S — CID 53160533

IUPAC1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
SMILESCN1CCC(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1
InChIInChI=1S/C21H25N3O3S/c1-23-12-10-18(11-13-23)22-21(25)17-8-7-16-9-14-24(20(16)15-17)28(26,27)19-5-3-2-4-6-19/h2-8,15,18H,9-14H2,1H3,(H,22,25)
InChIKeyNYDMPJPSHMNFOH-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.26
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide

1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide (PubChem CID 53160533) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
PubChem CID53160533
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
SMILESCN1CCC(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1
InChIInChI=1S/C21H25N3O3S/c1-23-12-10-18(11-13-23)22-21(25)17-8-7-16-9-14-24(20(16)15-17)28(26,27)19-5-3-2-4-6-19/h2-8,15,18H,9-14H2,1H3,(H,22,25)
InChIKeyNYDMPJPSHMNFOH-UHFFFAOYSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide 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

[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 53160542
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 41194380
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]boronic acid
CID 140843225

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide (CID 53160533) is 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide is CN1CCC(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is NYDMPJPSHMNFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-23-12-10-18(11-13-23)22-21(25)17-8-7-16-9-14-24(20(16)15-17)28(26,27)19-5-3-2-4-6-19/h2-8,15,18H,9-14H2,1H3,(H,22,25).
What are the key properties of 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide?
1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).