4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide

C16H16N2O2S2 — CID 169372574

IUPAC4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide
SMILESCSc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12
InChIInChI=1S/C16H16N2O2S2/c1-11-3-6-13(7-4-11)22(19,20)18-12-5-8-15-14(9-12)16(21-2)10-17-15/h3-10,17-18H,1-2H3
InChIKeyLQNQJOKSNXVSAJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.00
Rot. Bonds4

About 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide

4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide (PubChem CID 169372574) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide
PubChem CID169372574
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide
SMILESCSc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12
InChIInChI=1S/C16H16N2O2S2/c1-11-3-6-13(7-4-11)22(19,20)18-12-5-8-15-14(9-12)16(21-2)10-17-15/h3-10,17-18H,1-2H3
InChIKeyLQNQJOKSNXVSAJ-UHFFFAOYSA-N
XLogP4.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
3,5-dichloro-N-(3-methyl-1H-indol-5-yl)benzenesulfonamide
CID 59276788
4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52946231
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide
CID 54554079
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide
CID 126415790
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
CID 143550449

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide (CID 169372574) is 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide is CSc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12.
What is the InChIKey of 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide?
The InChIKey is LQNQJOKSNXVSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-11-3-6-13(7-4-11)22(19,20)18-12-5-8-15-14(9-12)16(21-2)10-17-15/h3-10,17-18H,1-2H3.
What are the key properties of 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide?
4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 169372574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).