6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C16H15ClN2O3S — CID 44634854

IUPAC6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1C
InChIInChI=1S/C16H15ClN2O3S/c1-9-3-4-12(5-10(9)2)19-23(21,22)15-6-11-7-16(20)18-14(11)8-13(15)17/h3-6,8,19H,7H2,1-2H3,(H,18,20)
InChIKeyXRRWVAJHXHPVMF-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.25
Rot. Bonds3

About 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 44634854) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID44634854
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1C
InChIInChI=1S/C16H15ClN2O3S/c1-9-3-4-12(5-10(9)2)19-23(21,22)15-6-11-7-16(20)18-14(11)8-13(15)17/h3-6,8,19H,7H2,1-2H3,(H,18,20)
InChIKeyXRRWVAJHXHPVMF-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-[4-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56507209
N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46925987
6-chloro-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502039
6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 62663889
6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502382
N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 63194322
6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
CID 144760752
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 64540623
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65194062
N-(2-bromoprop-2-enyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113465023

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 44634854) is 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1C.
What is the InChIKey of 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is XRRWVAJHXHPVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-9-3-4-12(5-10(9)2)19-23(21,22)15-6-11-7-16(20)18-14(11)8-13(15)17/h3-6,8,19H,7H2,1-2H3,(H,18,20).
What are the key properties of 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 44634854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).