N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide

C14H13N3O2S — CID 53356006

IUPACN-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C14H13N3O2S/c1-10-5-7-11(8-6-10)20(18,19)17-14-4-2-3-13-12(14)9-15-16-13/h2-9,17H,1H3,(H,15,16)
InChIKeyZKZHODHOZSQQPK-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.67
Rot. Bonds3

About N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide

N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide (PubChem CID 53356006) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
PubChem CID53356006
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C14H13N3O2S/c1-10-5-7-11(8-6-10)20(18,19)17-14-4-2-3-13-12(14)9-15-16-13/h2-9,17H,1H3,(H,15,16)
InChIKeyZKZHODHOZSQQPK-UHFFFAOYSA-N
XLogP2.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919
N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 60579360
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
CID 60524877
2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61216548
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 3852469
2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
CID 60579057
N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60579174
4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
CID 169372936
3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
CID 61112113

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide (CID 53356006) is N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3[nH]ncc23)cc1.
What is the InChIKey of N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is ZKZHODHOZSQQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-5-7-11(8-6-10)20(18,19)17-14-4-2-3-13-12(14)9-15-16-13/h2-9,17H,1H3,(H,15,16).
What are the key properties of N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide?
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 53356006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).