4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

C19H15ClN2O4S — CID 155530217

IUPAC4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c3c(cccc13)C(=O)N2C
InChIInChI=1S/C19H15ClN2O4S/c1-22-15-8-7-14(12-4-3-5-13(18(12)15)19(22)23)21-27(24,25)17-9-6-11(20)10-16(17)26-2/h3-10,21H,1-2H3
InChIKeyRRRLIZYBHZKJOK-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (PubChem CID 155530217) has the molecular formula C19H15ClN2O4S and a molecular weight of 402.86 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
PubChem CID155530217
Molecular FormulaC19H15ClN2O4S
Molecular Weight402.86 g/mol
Exact Mass402.04
IUPAC Name4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c3c(cccc13)C(=O)N2C
InChIInChI=1S/C19H15ClN2O4S/c1-22-15-8-7-14(12-4-3-5-13(18(12)15)19(22)23)21-27(24,25)17-9-6-11(20)10-16(17)26-2/h3-10,21H,1-2H3
InChIKeyRRRLIZYBHZKJOK-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide 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

5-Bromo-N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)-2-Methoxybenzenesulfonamide
CID 105539860
2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
CID 145829182
5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
CID 127031094
5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155533716
Methyl 3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanoate
CID 155682739
1-(4-Chlorobenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 16014632
5-Chloro-2-methoxy-N-{[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}benzene-1-sulfonamide
CID 16030960
N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155518033
2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 155544158
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide
CID 127031095
2-[4-[[1-(5-Chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carbonyl]amino]phenyl]acetic acid
CID 24962708
1-(4-Chlorobenzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16014654

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (CID 155530217) is 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c3c(cccc13)C(=O)N2C.
What is the InChIKey of 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The InChIKey is RRRLIZYBHZKJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4S/c1-22-15-8-7-14(12-4-3-5-13(18(12)15)19(22)23)21-27(24,25)17-9-6-11(20)10-16(17)26-2/h3-10,21H,1-2H3.
What are the key properties of 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide has a molecular weight of 402.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is sourced from PubChem (CID 155530217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).