3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide

C14H11Cl2FN2O3S — CID 46778692

IUPAC3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H11Cl2FN2O3S/c1-23(21,22)19-13-5-2-8(6-11(13)16)14(20)18-9-3-4-12(17)10(15)7-9/h2-7,19H,1H3,(H,18,20)
InChIKeyXPPCKUUHYSARHK-UHFFFAOYSA-N
MW377.22 g/mol
LogP3.76
Rot. Bonds4

About 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide

3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide (PubChem CID 46778692) has the molecular formula C14H11Cl2FN2O3S and a molecular weight of 377.22 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
PubChem CID46778692
Molecular FormulaC14H11Cl2FN2O3S
Molecular Weight377.22 g/mol
Exact Mass375.99
IUPAC Name3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H11Cl2FN2O3S/c1-23(21,22)19-13-5-2-8(6-11(13)16)14(20)18-9-3-4-12(17)10(15)7-9/h2-7,19H,1H3,(H,18,20)
InChIKeyXPPCKUUHYSARHK-UHFFFAOYSA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062615
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955499
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide (CID 46778692) is 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide?
The InChIKey is XPPCKUUHYSARHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O3S/c1-23(21,22)19-13-5-2-8(6-11(13)16)14(20)18-9-3-4-12(17)10(15)7-9/h2-7,19H,1H3,(H,18,20).
What are the key properties of 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide?
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide has a molecular weight of 377.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 46778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).