3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide

C13H9ClFN3O2S — CID 4165476

IUPAC3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cn[nH]c12)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-6-9(4-5-11(10)15)21(19,20)18-12-3-1-2-8-7-16-17-13(8)12/h1-7,18H,(H,16,17)
InChIKeyUVOKBPGICUDGOF-UHFFFAOYSA-N
MW325.75 g/mol
LogP3.16
Rot. Bonds3

About 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide

3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide (PubChem CID 4165476) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide
PubChem CID4165476
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cn[nH]c12)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-6-9(4-5-11(10)15)21(19,20)18-12-3-1-2-8-7-16-17-13(8)12/h1-7,18H,(H,16,17)
InChIKeyUVOKBPGICUDGOF-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-7-yl)benzenesulfonamide
CID 24653975
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine
CID 81145361
N-(1H-indazol-7-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 24653999
3,4-diethoxy-N-(1H-indazol-7-yl)benzenesulfonamide
CID 24654006
5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide
CID 60779709
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(1H-indazol-7-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62999477
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1H-indazol-7-yl)acetamide
CID 34198690
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide (CID 4165476) is 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide is O=S(=O)(Nc1cccc2cn[nH]c12)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide?
The InChIKey is UVOKBPGICUDGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-10-6-9(4-5-11(10)15)21(19,20)18-12-3-1-2-8-7-16-17-13(8)12/h1-7,18H,(H,16,17).
What are the key properties of 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide?
3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide has a molecular weight of 325.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide is sourced from PubChem (CID 4165476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).