2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide

C8H8ClFN2O3S — CID 81454798

IUPAC2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl
InChIInChI=1S/C8H8ClFN2O3S/c1-12-8(13)5-2-4(16(11,14)15)3-6(10)7(5)9/h2-3H,1H3,(H,12,13)(H2,11,14,15)
InChIKeyKKKVGVHQWOASHA-UHFFFAOYSA-N
MW266.68 g/mol
LogP0.49
Rot. Bonds2

About 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide

2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 81454798) has the molecular formula C8H8ClFN2O3S and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID81454798
Molecular FormulaC8H8ClFN2O3S
Molecular Weight266.68 g/mol
Exact Mass265.99
IUPAC Name2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl
InChIInChI=1S/C8H8ClFN2O3S/c1-12-8(13)5-2-4(16(11,14)15)3-6(10)7(5)9/h2-3H,1H3,(H,12,13)(H2,11,14,15)
InChIKeyKKKVGVHQWOASHA-UHFFFAOYSA-N
XLogP0.49
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681
2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 81454215
4-methylpentyl 2-chloro-3-fluoro-5-sulfamoylbenzoate
CID 81454421
2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454116
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881
4-chloro-3-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
CID 81453574
4-chloro-3-fluoro-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 81454109
4-chloro-3-(2,3-dimethylbutylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 81454208
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
5-(tert-butylsulfamoyl)-2-chloro-3-fluorobenzoic acid
CID 81461252
propan-2-yl 2-chloro-5-chlorosulfonyl-3-fluorobenzoate
CID 81454558
5-(3-amino-3-oxopropyl)sulfonyl-2-chloro-3-fluorobenzoic acid
CID 81461333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide (CID 81454798) is 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide is CNC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is KKKVGVHQWOASHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O3S/c1-12-8(13)5-2-4(16(11,14)15)3-6(10)7(5)9/h2-3H,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide?
2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide has a molecular weight of 266.68 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81454798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).