N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide

C17H18ClFN2O3S — CID 24663149

IUPACN-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-17(2,3)20-16(22)11-4-7-13(8-5-11)21-25(23,24)15-9-6-12(18)10-14(15)19/h4-10,21H,1-3H3,(H,20,22)
InChIKeyLVBJCPOCPMHLRW-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.81
Rot. Bonds4

About N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide

N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide (PubChem CID 24663149) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
PubChem CID24663149
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-17(2,3)20-16(22)11-4-7-13(8-5-11)21-25(23,24)15-9-6-12(18)10-14(15)19/h4-10,21H,1-3H3,(H,20,22)
InChIKeyLVBJCPOCPMHLRW-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

Analyze N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
CID 24663107
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
CID 109065192
4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide
CID 17487643
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 24663110
4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 25335042
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide (CID 24663149) is N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide is CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is LVBJCPOCPMHLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-17(2,3)20-16(22)11-4-7-13(8-5-11)21-25(23,24)15-9-6-12(18)10-14(15)19/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide?
N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]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-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24663149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).