5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide

C20H13Cl2F3N2O3S — CID 28634197

IUPAC5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H13Cl2F3N2O3S/c21-17-8-7-13(27-31(29,30)14-4-2-1-3-5-14)10-15(17)19(28)26-12-6-9-18(22)16(11-12)20(23,24)25/h1-11,27H,(H,26,28)
InChIKeyCQGDWWCSPXBIDW-UHFFFAOYSA-N
MW489.30 g/mol
LogP6.07
Rot. Bonds5

About 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide

5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 28634197) has the molecular formula C20H13Cl2F3N2O3S and a molecular weight of 489.30 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
PubChem CID28634197
Molecular FormulaC20H13Cl2F3N2O3S
Molecular Weight489.30 g/mol
Exact Mass488.00
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H13Cl2F3N2O3S/c21-17-8-7-13(27-31(29,30)14-4-2-1-3-5-14)10-15(17)19(28)26-12-6-9-18(22)16(11-12)20(23,24)25/h1-11,27H,(H,26,28)
InChIKeyCQGDWWCSPXBIDW-UHFFFAOYSA-N
XLogP6.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.30
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5041241
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
4-(benzenesulfonamido)-2-chloro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92680505
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-iodo-4-methylbenzamide
CID 100525126
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 46763134
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide (CID 28634197) is 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CQGDWWCSPXBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O3S/c21-17-8-7-13(27-31(29,30)14-4-2-1-3-5-14)10-15(17)19(28)26-12-6-9-18(22)16(11-12)20(23,24)25/h1-11,27H,(H,26,28).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide?
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 489.30 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 28634197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).