N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide

C14H13N3O3S — CID 25037537

IUPACN-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C14H13N3O3S/c1-20-12-3-5-13(6-4-12)21(18,19)17-11-2-7-14-10(8-11)9-15-16-14/h2-9,17H,1H3,(H,15,16)
InChIKeyCCRARPYSDPJMJC-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.37
Rot. Bonds4

About N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide

N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 25037537) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide
PubChem CID25037537
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C14H13N3O3S/c1-20-12-3-5-13(6-4-12)21(18,19)17-11-2-7-14-10(8-11)9-15-16-14/h2-9,17H,1H3,(H,15,16)
InChIKeyCCRARPYSDPJMJC-UHFFFAOYSA-N
XLogP2.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide
CID 53476531
3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 164609444
4-chloro-N-(1H-indazol-6-yl)-3-methoxybenzenesulfonamide
CID 1507315
N-(1H-indazol-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 1507316
N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
CID 2078537
4-ethoxy-N-1H-indazol-6-yl-2,5-dimethylbenzenesulfonamide
CID 2237144
N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
CID 71459614
N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 5301628
N-(1H-indazol-6-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 16280109
N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide
CID 71454207
3-(4-methoxy-1H-indazol-3-yl)benzenesulfonamide
CID 118712911
6-(4-methoxyphenyl)-1H-indazole
CID 72923141

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide (CID 25037537) is N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is CCRARPYSDPJMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-12-3-5-13(6-4-12)21(18,19)17-11-2-7-14-10(8-11)9-15-16-14/h2-9,17H,1H3,(H,15,16).
What are the key properties of N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide?
N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 25037537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).