N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide

C20H16ClFN2O3S — CID 27670254

IUPACN-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H16ClFN2O3S/c21-18-11-6-15(20(25)23-13-14-4-2-1-3-5-14)12-19(18)24-28(26,27)17-9-7-16(22)8-10-17/h1-12,24H,13H2,(H,23,25)
InChIKeyIIBCMTPPTYYIQW-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.21
Rot. Bonds6

About N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide

N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 27670254) has the molecular formula C20H16ClFN2O3S and a molecular weight of 418.88 g/mol. Its IUPAC name is N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID27670254
Molecular FormulaC20H16ClFN2O3S
Molecular Weight418.88 g/mol
Exact Mass418.06
IUPAC NameN-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H16ClFN2O3S/c21-18-11-6-15(20(25)23-13-14-4-2-1-3-5-14)12-19(18)24-28(26,27)17-9-7-16(22)8-10-17/h1-12,24H,13H2,(H,23,25)
InChIKeyIIBCMTPPTYYIQW-UHFFFAOYSA-N
XLogP4.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 37083906
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
CID 30391889
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 46529076
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 55585721
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2548852
4-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 26006052
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 112844279
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide (CID 27670254) is N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(NCc1ccccc1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is IIBCMTPPTYYIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3S/c21-18-11-6-15(20(25)23-13-14-4-2-1-3-5-14)12-19(18)24-28(26,27)17-9-7-16(22)8-10-17/h1-12,24H,13H2,(H,23,25).
What are the key properties of N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide?
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 27670254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).