N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide

C16H16N2O2S — CID 47093112

IUPACN-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1C
InChIInChI=1S/C16H16N2O2S/c1-11-6-7-13(10-12(11)2)21(19,20)18-16-5-3-4-15-14(16)8-9-17-15/h3-10,17-18H,1-2H3
InChIKeyUKUCLIUDZFIIKV-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.59
Rot. Bonds3

About N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide

N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide (PubChem CID 47093112) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
PubChem CID47093112
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1C
InChIInChI=1S/C16H16N2O2S/c1-11-6-7-13(10-12(11)2)21(19,20)18-16-5-3-4-15-14(16)8-9-17-15/h3-10,17-18H,1-2H3
InChIKeyUKUCLIUDZFIIKV-UHFFFAOYSA-N
XLogP3.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 110732198
3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110867586
3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 20961997
N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65030743
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140
N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68939319
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 58268189
3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 177279924

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide (CID 47093112) is N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1C.
What is the InChIKey of N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is UKUCLIUDZFIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-6-7-13(10-12(11)2)21(19,20)18-16-5-3-4-15-14(16)8-9-17-15/h3-10,17-18H,1-2H3.
What are the key properties of N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide?
N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 47093112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).