2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide

C20H12Cl2F3NO3S — CID 34309505

IUPAC2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(c1ccccc1Cl)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2F3NO3S/c21-14-8-10-16(11-9-14)30(28,29)26(19(27)17-6-1-2-7-18(17)22)15-5-3-4-13(12-15)20(23,24)25/h1-12H
InChIKeyCDRZMBORKLNWIA-UHFFFAOYSA-N
MW474.29 g/mol
LogP6.05
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide

2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 34309505) has the molecular formula C20H12Cl2F3NO3S and a molecular weight of 474.29 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID34309505
Molecular FormulaC20H12Cl2F3NO3S
Molecular Weight474.29 g/mol
Exact Mass472.99
IUPAC Name2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(c1ccccc1Cl)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2F3NO3S/c21-14-8-10-16(11-9-14)30(28,29)26(19(27)17-6-1-2-7-18(17)22)15-5-3-4-13(12-15)20(23,24)25/h1-12H
InChIKeyCDRZMBORKLNWIA-UHFFFAOYSA-N
XLogP6.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.29
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
2-[N-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(3,4-difluorophenyl)methyl]acetamide
CID 91800779
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
CID 50893250
4-chloro-N-(2-pyridin-2-ylethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;hydrochloride
CID 134105796
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoyl chloride
CID 50893138
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 126034952
N-(4-methoxyphenyl)-2-nitro-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 34310285
N-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 872481
4-chloro-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 90957662
2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoic acid
CID 50893228
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 26202322
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126031786

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 34309505) is 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(c1ccccc1Cl)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CDRZMBORKLNWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3NO3S/c21-14-8-10-16(11-9-14)30(28,29)26(19(27)17-6-1-2-7-18(17)22)15-5-3-4-13(12-15)20(23,24)25/h1-12H.
What are the key properties of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide?
2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 474.29 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 34309505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).