N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C18H13ClN2O3S — CID 134025383

IUPACN-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c(Cl)c1
InChIInChI=1S/C18H13ClN2O3S/c1-10-5-6-14(13(19)9-10)21-25(23,24)16-8-7-15-17-11(16)3-2-4-12(17)18(22)20-15/h2-9,21H,1H3,(H,20,22)
InChIKeyICZIPQUFUKAJKO-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.17
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 134025383) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID134025383
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC NameN-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c(Cl)c1
InChIInChI=1S/C18H13ClN2O3S/c1-10-5-6-14(13(19)9-10)21-25(23,24)16-8-7-15-17-11(16)3-2-4-12(17)18(22)20-15/h2-9,21H,1H3,(H,20,22)
InChIKeyICZIPQUFUKAJKO-UHFFFAOYSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 60588923
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55662988
N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166179424
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291
N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55663293
2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55895798
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
N-[(8S)-3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 40851726

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 134025383) is N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is ICZIPQUFUKAJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-10-5-6-14(13(19)9-10)21-25(23,24)16-8-7-15-17-11(16)3-2-4-12(17)18(22)20-15/h2-9,21H,1H3,(H,20,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 372.83 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 134025383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).