N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide

C17H18N2O2S — CID 169371827

IUPACN-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(C)cn(C)c3c2)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-4-7-15(8-5-12)22(20,21)18-14-6-9-16-13(2)11-19(3)17(16)10-14/h4-11,18H,1-3H3
InChIKeyJSYAZYALNNZQRW-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.60
Rot. Bonds3

About N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide

N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide (PubChem CID 169371827) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide
PubChem CID169371827
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(C)cn(C)c3c2)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-4-7-15(8-5-12)22(20,21)18-14-6-9-16-13(2)11-19(3)17(16)10-14/h4-11,18H,1-3H3
InChIKeyJSYAZYALNNZQRW-UHFFFAOYSA-N
XLogP3.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
CID 143550449
4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
CID 169370714
4-methyl-N-(3-methyl-4-oxoquinazolin-6-yl)benzenesulfonamide
CID 169372734
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
1,3-dimethylindole-5-sulfonyl chloride
CID 83825091
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
2-amino-4-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 54080223
N-(3-tert-butyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 800852
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide (CID 169371827) is N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(C)cn(C)c3c2)cc1.
What is the InChIKey of N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is JSYAZYALNNZQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-4-7-15(8-5-12)22(20,21)18-14-6-9-16-13(2)11-19(3)17(16)10-14/h4-11,18H,1-3H3.
What are the key properties of N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide?
N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).