3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide

C17H18N2O3S — CID 18570723

IUPAC3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1C
InChIInChI=1S/C17H18N2O3S/c1-11-4-6-15(8-12(11)2)23(21,22)18-14-5-7-16-13(9-14)10-17(20)19(16)3/h4-9,18H,10H2,1-3H3
InChIKeyHYFSRSPEEYEIDW-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.62
Rot. Bonds3

About 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide

3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide (PubChem CID 18570723) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
PubChem CID18570723
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1C
InChIInChI=1S/C17H18N2O3S/c1-11-4-6-15(8-12(11)2)23(21,22)18-14-5-7-16-13(9-14)10-17(20)19(16)3/h4-9,18H,10H2,1-3H3
InChIKeyHYFSRSPEEYEIDW-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 24602618
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110601933
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide
CID 110350539
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459
1-methyl-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110406005
3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 110732709
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602602
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide (CID 18570723) is 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The InChIKey is HYFSRSPEEYEIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-4-6-15(8-12(11)2)23(21,22)18-14-5-7-16-13(9-14)10-17(20)19(16)3/h4-9,18H,10H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 18570723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).