4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide

C15H14ClN3O2S — CID 121326233

IUPAC4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-19(2)22(20,21)12-5-3-10(4-6-12)13-7-11(16)8-15-14(13)9-17-18-15/h3-9H,1-2H3,(H,17,18)
InChIKeyZJFPFIWYGPNQKQ-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.13
Rot. Bonds3

About 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide

4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 121326233) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID121326233
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-19(2)22(20,21)12-5-3-10(4-6-12)13-7-11(16)8-15-14(13)9-17-18-15/h3-9H,1-2H3,(H,17,18)
InChIKeyZJFPFIWYGPNQKQ-UHFFFAOYSA-N
XLogP3.13
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide (CID 121326233) is 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.
What is the InChIKey of 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZJFPFIWYGPNQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-19(2)22(20,21)12-5-3-10(4-6-12)13-7-11(16)8-15-14(13)9-17-18-15/h3-9H,1-2H3,(H,17,18).
What are the key properties of 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide?
4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 335.82 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 121326233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).