N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C21H19N3O3S — CID 112985929

IUPACN-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C21H19N3O3S/c1-14-4-2-3-5-19(14)22-16-6-8-17(9-7-16)24-28(26,27)18-10-11-20-15(12-18)13-21(25)23-20/h2-12,22,24H,13H2,1H3,(H,23,25)
InChIKeyWJGDDPQBGYEHQU-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.03
Rot. Bonds5

About N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 112985929) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID112985929
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C21H19N3O3S/c1-14-4-2-3-5-19(14)22-16-6-8-17(9-7-16)24-28(26,27)18-10-11-20-15(12-18)13-21(25)23-20/h2-12,22,24H,13H2,1H3,(H,23,25)
InChIKeyWJGDDPQBGYEHQU-UHFFFAOYSA-N
XLogP4.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylphenoxy)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110604721
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(4-fluoro-2-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7667496
N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112981006
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9030807
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydroindole-5-sulfonamide
CID 110724194
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 112985929) is N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is WJGDDPQBGYEHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14-4-2-3-5-19(14)22-16-6-8-17(9-7-16)24-28(26,27)18-10-11-20-15(12-18)13-21(25)23-20/h2-12,22,24H,13H2,1H3,(H,23,25).
What are the key properties of N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 112985929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).