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

C11H12ClFN2O3S — CID 81454116

IUPAC2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl)C1CC1
InChIInChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)8-4-7(19(14,17)18)5-9(13)10(8)12/h4-6H,2-3H2,1H3,(H2,14,17,18)
InChIKeyHUZJVKNVFQDQKM-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.36
Rot. Bonds3

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

2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 81454116) has the molecular formula C11H12ClFN2O3S and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID81454116
Molecular FormulaC11H12ClFN2O3S
Molecular Weight306.75 g/mol
Exact Mass306.02
IUPAC Name2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl)C1CC1
InChIInChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)8-4-7(19(14,17)18)5-9(13)10(8)12/h4-6H,2-3H2,1H3,(H2,14,17,18)
InChIKeyHUZJVKNVFQDQKM-UHFFFAOYSA-N
XLogP1.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 891386
Benzamide, 2-chloro-5-[(diethylamino)sulfonyl]-N-[1-(phenylmethyl)-4-piperidinyl]-, hydrochloride (1:1)
CID 16238000
3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 24979176
N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 25161492
2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 25161516
3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide
CID 25163089
2-chloro-N-cyclohexyl-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 25613734
N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 72543966
2-chloro-N-cyclooctyl-5-(dimethylsulfamoyl)benzamide
CID 2684469
1-[4-(2-Chloro-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
CID 24982835
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 25161911
2-chloro-N-cyclohexyl-5-(1-pyrrolidinylsulfonyl)benzamide
CID 1079106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide (CID 81454116) is 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide is CN(C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is HUZJVKNVFQDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)8-4-7(19(14,17)18)5-9(13)10(8)12/h4-6H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide has a molecular weight of 306.75 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81454116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).