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

C20H13Cl2F3N2O3S — CID 46763134

IUPAC4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H13Cl2F3N2O3S/c21-16-9-6-12(20(23,24)25)10-18(16)26-19(28)15-8-7-13(11-17(15)22)27-31(29,30)14-4-2-1-3-5-14/h1-11,27H,(H,26,28)
InChIKeyBKJDCWKOXDOKAQ-UHFFFAOYSA-N
MW489.30 g/mol
LogP6.07
Rot. Bonds5

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

4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 46763134) has the molecular formula C20H13Cl2F3N2O3S and a molecular weight of 489.30 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
PubChem CID46763134
Molecular FormulaC20H13Cl2F3N2O3S
Molecular Weight489.30 g/mol
Exact Mass488.00
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H13Cl2F3N2O3S/c21-16-9-6-12(20(23,24)25)10-18(16)26-19(28)15-8-7-13(11-17(15)22)27-31(29,30)14-4-2-1-3-5-14/h1-11,27H,(H,26,28)
InChIKeyBKJDCWKOXDOKAQ-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

4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
4-(benzenesulfonamido)-2-chloro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92680505
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
4-(benzenesulfonamido)-2-chloro-N-(2-phenoxyphenyl)benzamide
CID 99958448
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide (CID 46763134) is 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BKJDCWKOXDOKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O3S/c21-16-9-6-12(20(23,24)25)10-18(16)26-19(28)15-8-7-13(11-17(15)22)27-31(29,30)14-4-2-1-3-5-14/h1-11,27H,(H,26,28).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(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 4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 46763134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).