N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide

C18H20ClFN2O3S — CID 86949396

IUPACN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-4-21-26(24,25)14-7-5-6-12(10-14)17(23)22-18(2,3)15-9-8-13(20)11-16(15)19/h5-11,21H,4H2,1-3H3,(H,22,23)
InChIKeyAHVQCPIKKUMASV-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.44
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide (PubChem CID 86949396) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
PubChem CID86949396
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-4-21-26(24,25)14-7-5-6-12(10-14)17(23)22-18(2,3)15-9-8-13(20)11-16(15)19/h5-11,21H,4H2,1-3H3,(H,22,23)
InChIKeyAHVQCPIKKUMASV-UHFFFAOYSA-N
XLogP3.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide
CID 86948895
methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate
CID 43074354
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
CID 86948958
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732
N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide
CID 109064999
N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 26591384
N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
CID 109065192
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide
CID 134057652
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
CID 110445693

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide (CID 86949396) is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2ccc(F)cc2Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide?
The InChIKey is AHVQCPIKKUMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-4-21-26(24,25)14-7-5-6-12(10-14)17(23)22-18(2,3)15-9-8-13(20)11-16(15)19/h5-11,21H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide?
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide has a molecular weight of 398.89 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 86949396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).