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

C20H13Cl2F3N2O3S — CID 2311438

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H13Cl2F3N2O3S/c21-13-6-8-14(9-7-13)31(29,30)27-17-4-2-1-3-15(17)19(28)26-18-11-12(20(23,24)25)5-10-16(18)22/h1-11,27H,(H,26,28)
InChIKeyUMQXRXAJWHNFJC-UHFFFAOYSA-N
MW489.30 g/mol
LogP6.07
Rot. Bonds5

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

2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2311438) has the molecular formula C20H13Cl2F3N2O3S and a molecular weight of 489.30 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2311438
Molecular FormulaC20H13Cl2F3N2O3S
Molecular Weight489.30 g/mol
Exact Mass488.00
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H13Cl2F3N2O3S/c21-13-6-8-14(9-7-13)31(29,30)27-17-4-2-1-3-15(17)19(28)26-18-11-12(20(23,24)25)5-10-16(18)22/h1-11,27H,(H,26,28)
InChIKeyUMQXRXAJWHNFJC-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

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CID 1019165
N-{2-[(allylamino)carbonyl]phenyl}-3-(anilinosulfonyl)-4-chlorobenzamide
CID 2237563
N-(2-chlorophenyl)-2-[(methylsulfonyl)amino]benzamide
CID 848432
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 3431315
N-(2-chlorophenyl)-3-{[ethyl(phenyl)amino]sulfonyl}-4-fluorobenzamide
CID 4216298
N-(4-{[2-(4-Chlorobenzoyl)phenyl]sulfamoyl}phenyl)acetamide
CID 24895352
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3,5-dichlorophenyl)benzamide
CID 44563676
4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164620259
4-chloro-N-[2-[2-oxo-2-(4-sulfamoylanilino)acetyl]phenyl]benzamide
CID 168291885
N-[2-chloro-5-[(2-fluorophenyl)sulfamoyl]phenyl]-2,4-difluorobenzamide
CID 3543799
4-Chloro-N-phenyl-3-phenylsulfamoyl-benzamide
CID 626406
N-(4-Chlorophenyl)-2-[3-(diethylsulfamoyl)benzamido]benzamide
CID 4651551

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide (CID 2311438) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UMQXRXAJWHNFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O3S/c21-13-6-8-14(9-7-13)31(29,30)27-17-4-2-1-3-15(17)19(28)26-18-11-12(20(23,24)25)5-10-16(18)22/h1-11,27H,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
2-[(4-chlorophenyl)sulfonylamino]-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 2-[(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2311438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).