N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide

C17H18ClFN2O3S — CID 18892739

IUPACN-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-3-11(2)21-25(23,24)14-7-8-16(15(19)10-14)20-17(22)12-5-4-6-13(18)9-12/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyHOVCPUGLARBWSV-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.81
Rot. Bonds6

About N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide

N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide (PubChem CID 18892739) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
PubChem CID18892739
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-3-11(2)21-25(23,24)14-7-8-16(15(19)10-14)20-17(22)12-5-4-6-13(18)9-12/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyHOVCPUGLARBWSV-UHFFFAOYSA-N
XLogP3.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18892779
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892770
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892877
3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 18892761
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26691619
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
3-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluorophenyl]benzamide
CID 18892858

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide (CID 18892739) is N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide is CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide?
The InChIKey is HOVCPUGLARBWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-3-11(2)21-25(23,24)14-7-8-16(15(19)10-14)20-17(22)12-5-4-6-13(18)9-12/h4-11,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide?
N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide has a molecular weight of 384.86 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide is sourced from PubChem (CID 18892739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).