1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide

C23H23N3O5S2 — CID 24602618

IUPAC1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc2C)c1
InChIInChI=1S/C23H23N3O5S2/c1-15-5-4-6-18(11-15)25-33(30,31)22-14-19(8-7-16(22)2)24-32(28,29)20-9-10-21-17(12-20)13-23(27)26(21)3/h4-12,14,24-25H,13H2,1-3H3
InChIKeyZLIDDAWZJZGXQR-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.42
Rot. Bonds6

About 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide (PubChem CID 24602618) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide
PubChem CID24602618
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC Name1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc2C)c1
InChIInChI=1S/C23H23N3O5S2/c1-15-5-4-6-18(11-15)25-33(30,31)22-14-19(8-7-16(22)2)24-32(28,29)20-9-10-21-17(12-20)13-23(27)26(21)3/h4-12,14,24-25H,13H2,1-3H3
InChIKeyZLIDDAWZJZGXQR-UHFFFAOYSA-N
XLogP3.42
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110601933
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide
CID 110350539
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602602
N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113098520
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide (CID 24602618) is 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc2C)c1.
What is the InChIKey of 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is ZLIDDAWZJZGXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c1-15-5-4-6-18(11-15)25-33(30,31)22-14-19(8-7-16(22)2)24-32(28,29)20-9-10-21-17(12-20)13-23(27)26(21)3/h4-12,14,24-25H,13H2,1-3H3.
What are the key properties of 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 485.59 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 24602618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).