N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide

C17H18F2N2O3S — CID 24663107

IUPACN-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-17(2,3)20-16(22)11-4-6-14(7-5-11)21-25(23,24)15-9-12(18)8-13(19)10-15/h4-10,21H,1-3H3,(H,20,22)
InChIKeyLMCHHJOMTSVTFH-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.29
Rot. Bonds4

About N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide

N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide (PubChem CID 24663107) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
PubChem CID24663107
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-17(2,3)20-16(22)11-4-6-14(7-5-11)21-25(23,24)15-9-12(18)8-13(19)10-15/h4-10,21H,1-3H3,(H,20,22)
InChIKeyLMCHHJOMTSVTFH-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 24663149
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 24663110
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
CID 109065192
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide (CID 24663107) is N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide is CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide?
The InChIKey is LMCHHJOMTSVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-17(2,3)20-16(22)11-4-6-14(7-5-11)21-25(23,24)15-9-12(18)8-13(19)10-15/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide?
N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide has a molecular weight of 368.41 g/mol, XLogP of 3.29, 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-[(3,5-difluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24663107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).