N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide

C16H14ClFN2O3S — CID 94006212

IUPACN-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H14ClFN2O3S/c17-11-4-7-14(18)15(9-11)19-16(21)10-2-1-3-13(8-10)24(22,23)20-12-5-6-12/h1-4,7-9,12,20H,5-6H2,(H,19,21)
InChIKeyYZYBUNDWHPMEKN-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.17
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide

N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 94006212) has the molecular formula C16H14ClFN2O3S and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
PubChem CID94006212
Molecular FormulaC16H14ClFN2O3S
Molecular Weight368.82 g/mol
Exact Mass368.04
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H14ClFN2O3S/c17-11-4-7-14(18)15(9-11)19-16(21)10-2-1-3-13(8-10)24(22,23)20-12-5-6-12/h1-4,7-9,12,20H,5-6H2,(H,19,21)
InChIKeyYZYBUNDWHPMEKN-UHFFFAOYSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 35355750
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
CID 56570757
N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55763086
N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 39851862
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 118396952

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide (CID 94006212) is N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide is O=C(Nc1cc(Cl)ccc1F)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is YZYBUNDWHPMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3S/c17-11-4-7-14(18)15(9-11)19-16(21)10-2-1-3-13(8-10)24(22,23)20-12-5-6-12/h1-4,7-9,12,20H,5-6H2,(H,19,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide?
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 368.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 94006212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).