N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide

C17H18ClFN2O3S — CID 109065192

IUPACN-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-17(2,3)20-16(22)11-5-4-6-13(9-11)25(23,24)21-12-7-8-15(19)14(18)10-12/h4-10,21H,1-3H3,(H,20,22)
InChIKeyCIXSLGDYNFFURZ-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.81
Rot. Bonds4

About N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide

N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 109065192) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
PubChem CID109065192
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-17(2,3)20-16(22)11-5-4-6-13(9-11)25(23,24)21-12-7-8-15(19)14(18)10-12/h4-10,21H,1-3H3,(H,20,22)
InChIKeyCIXSLGDYNFFURZ-UHFFFAOYSA-N
XLogP3.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
methyl 3-[[3-(tert-butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 99966232
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642831
N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657146
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
CID 2308611
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 24663149
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-tert-butyl-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109262883

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide (CID 109065192) is N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide is CC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is CIXSLGDYNFFURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-17(2,3)20-16(22)11-5-4-6-13(9-11)25(23,24)21-12-7-8-15(19)14(18)10-12/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide?
N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 384.86 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109065192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).