2-chloro-5-fluoro-3-methylbenzenesulfonamide

C7H7ClFNO2S — CID 119005031

IUPAC2-chloro-5-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(9)3-6(7(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyWCVXCYPLOBBSKB-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.43
Rot. Bonds1

About 2-chloro-5-fluoro-3-methylbenzenesulfonamide

2-chloro-5-fluoro-3-methylbenzenesulfonamide (PubChem CID 119005031) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-methylbenzenesulfonamide
PubChem CID119005031
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name2-chloro-5-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(9)3-6(7(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyWCVXCYPLOBBSKB-UHFFFAOYSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-methylbenzene-1,3-disulfonamide
CID 134098209
2-chloro-4-fluoro-6-methylbenzenesulfonamide
CID 119007559
3-chloro-2-(difluoromethyl)-6-methylpyridine-4-sulfonamide
CID 134674571
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
2-bromo-3-chloro-5-fluorobenzenesulfonamide
CID 131622380
4-chloro-2-fluoro-5-methylbenzenesulfonamide
CID 71106537
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881
2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916
potassium 5-amino-2-chloro-3-methylbenzenesulfonate
CID 101303823
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide
CID 130073590
2,4,5-trimethylbenzenesulfonamide
CID 961422
5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 114452196

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-3-methylbenzenesulfonamide (CID 119005031) is 2-chloro-5-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-3-methylbenzenesulfonamide is Cc1cc(F)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2-chloro-5-fluoro-3-methylbenzenesulfonamide?
The InChIKey is WCVXCYPLOBBSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-4-2-5(9)3-6(7(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 2-chloro-5-fluoro-3-methylbenzenesulfonamide?
2-chloro-5-fluoro-3-methylbenzenesulfonamide has a molecular weight of 223.66 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 119005031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).