2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide

C18H20ClFN2O3S — CID 18893027

IUPAC2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-12(2)9-10-21-26(24,25)13-7-8-17(16(20)11-13)22-18(23)14-5-3-4-6-15(14)19/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyHEFFEVBULMYMEG-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.06
Rot. Bonds7

About 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide

2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide (PubChem CID 18893027) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
PubChem CID18893027
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-12(2)9-10-21-26(24,25)13-7-8-17(16(20)11-13)22-18(23)14-5-3-4-6-15(14)19/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyHEFFEVBULMYMEG-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18892919
2,4-dichloro-N-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]benzamide
CID 18893075
2-fluoro-N-[2-fluoro-4-(3-hydroxypropylsulfamoyl)phenyl]benzamide
CID 18893237
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032
2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide
CID 18893036
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4125899
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
CID 18892993
N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061303
4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide
CID 18892698
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide (CID 18893027) is 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide is CC(C)CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide?
The InChIKey is HEFFEVBULMYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-12(2)9-10-21-26(24,25)13-7-8-17(16(20)11-13)22-18(23)14-5-3-4-6-15(14)19/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide?
2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide has a molecular weight of 398.89 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 18893027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).