N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide

C18H19ClN2O4S — CID 135310096

IUPACN-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc(C)c(N)cc1Cl
InChIInChI=1S/C18H19ClN2O4S/c1-10-8-17(14(19)9-15(10)20)26(23,24)21-18(22)13-7-6-12-11(13)4-3-5-16(12)25-2/h3-5,8-9,13H,6-7,20H2,1-2H3,(H,21,22)
InChIKeyTTXIQFWQPBAAMD-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.77
Rot. Bonds4

About N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide

N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310096) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310096
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc(C)c(N)cc1Cl
InChIInChI=1S/C18H19ClN2O4S/c1-10-8-17(14(19)9-15(10)20)26(23,24)21-18(22)13-7-6-12-11(13)4-3-5-16(12)25-2/h3-5,8-9,13H,6-7,20H2,1-2H3,(H,21,22)
InChIKeyTTXIQFWQPBAAMD-UHFFFAOYSA-N
XLogP2.77
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-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

N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135310065
5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310155
(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309852
4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310029
4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310200
4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309885
4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 135309984
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
(1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 95330686
4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310019
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (CID 135310096) is N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc(C)c(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is TTXIQFWQPBAAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-10-8-17(14(19)9-15(10)20)26(23,24)21-18(22)13-7-6-12-11(13)4-3-5-16(12)25-2/h3-5,8-9,13H,6-7,20H2,1-2H3,(H,21,22).
What are the key properties of N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).