N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide

C17H18ClFN2O3S — CID 51160726

IUPACN-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C17H18ClFN2O3S/c1-3-11(2)20-17(22)15-10-14(8-9-16(15)18)25(23,24)21-13-6-4-12(19)5-7-13/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyAFFFIXHXUAMWIQ-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.81
Rot. Bonds6

About N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide

N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 51160726) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID51160726
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C17H18ClFN2O3S/c1-3-11(2)20-17(22)15-10-14(8-9-16(15)18)25(23,24)21-13-6-4-12(19)5-7-13/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyAFFFIXHXUAMWIQ-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

N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55947275
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55840001
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 30910349
2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 42890307
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide (CID 51160726) is N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide is CCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is AFFFIXHXUAMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-3-11(2)20-17(22)15-10-14(8-9-16(15)18)25(23,24)21-13-6-4-12(19)5-7-13/h4-11,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide?
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide 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-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 51160726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).