2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide

C13H10ClN3O2S — CID 60524877

IUPAC2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2[nH]ncc12)c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O2S/c14-10-4-1-2-7-13(10)20(18,19)17-12-6-3-5-11-9(12)8-15-16-11/h1-8,17H,(H,15,16)
InChIKeyIZDIUTSRHMQSQY-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide

2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide (PubChem CID 60524877) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
PubChem CID60524877
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2[nH]ncc12)c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O2S/c14-10-4-1-2-7-13(10)20(18,19)17-12-6-3-5-11-9(12)8-15-16-11/h1-8,17H,(H,15,16)
InChIKeyIZDIUTSRHMQSQY-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
CID 60579057
2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61216548
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
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
3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
CID 61112113
4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
sodium;4-chloro-1H-indazole;hydride
CID 175559887
N-(1H-indazol-4-yl)piperazine-1-sulfonamide
CID 61254561
N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60579174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide (CID 60524877) is 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cccc2[nH]ncc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide?
The InChIKey is IZDIUTSRHMQSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-10-4-1-2-7-13(10)20(18,19)17-12-6-3-5-11-9(12)8-15-16-11/h1-8,17H,(H,15,16).
What are the key properties of 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide?
2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide has a molecular weight of 307.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 60524877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).