3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

C10H9ClFN3O2S — CID 64532116

IUPAC3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1cccc(Cl)c1F
InChIInChI=1S/C10H9ClFN3O2S/c11-7-2-1-3-8(10(7)12)18(16,17)15-6-9-13-4-5-14-9/h1-5,15H,6H2,(H,13,14)
InChIKeyGARWZVWFRCGJFE-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.68
Rot. Bonds4

About 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 64532116) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
PubChem CID64532116
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1cccc(Cl)c1F
InChIInChI=1S/C10H9ClFN3O2S/c11-7-2-1-3-8(10(7)12)18(16,17)15-6-9-13-4-5-14-9/h1-5,15H,6H2,(H,13,14)
InChIKeyGARWZVWFRCGJFE-UHFFFAOYSA-N
XLogP1.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(1H-imidazol-2-ylmethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106069224
3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069348
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069257
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069321
3-amino-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzenesulfonamide
CID 115993693
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525744
3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64531330
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 47359083
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (CID 64532116) is 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ncc[nH]1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is GARWZVWFRCGJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c11-7-2-1-3-8(10(7)12)18(16,17)15-6-9-13-4-5-14-9/h1-5,15H,6H2,(H,13,14).
What are the key properties of 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 289.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 64532116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).