3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide

C17H17ClF2N2O3S — CID 34827235

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C17H17ClF2N2O3S/c1-17(2,3)22-26(24,25)15-8-10(4-6-12(15)18)16(23)21-14-7-5-11(19)9-13(14)20/h4-9,22H,1-3H3,(H,21,23)
InChIKeySQNZVWKYWOHYJN-UHFFFAOYSA-N
MW402.85 g/mol
LogP3.95
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide (PubChem CID 34827235) has the molecular formula C17H17ClF2N2O3S and a molecular weight of 402.85 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
PubChem CID34827235
Molecular FormulaC17H17ClF2N2O3S
Molecular Weight402.85 g/mol
Exact Mass402.06
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C17H17ClF2N2O3S/c1-17(2,3)22-26(24,25)15-8-10(4-6-12(15)18)16(23)21-14-7-5-11(19)9-13(14)20/h4-9,22H,1-3H3,(H,21,23)
InChIKeySQNZVWKYWOHYJN-UHFFFAOYSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-3-(tert-butylsulfamoyl)-N-(4-chloro-2-fluorophenyl)benzamide
CID 4800517
4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
CID 26886366
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 35425596
4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26359533
4-chloro-3-(dimethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522880
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 30245415
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890
3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46462504

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide (CID 34827235) is 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1Cl.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide?
The InChIKey is SQNZVWKYWOHYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3S/c1-17(2,3)22-26(24,25)15-8-10(4-6-12(15)18)16(23)21-14-7-5-11(19)9-13(14)20/h4-9,22H,1-3H3,(H,21,23).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide has a molecular weight of 402.85 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 34827235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).