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

C20H14ClF3N2O3S — CID 19257338

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H14ClF3N2O3S/c21-17-10-9-14(20(22,23)24)12-18(17)25-19(27)13-5-4-8-16(11-13)30(28,29)26-15-6-2-1-3-7-15/h1-12,26H,(H,25,27)
InChIKeyKYBWJTAZWBUXJZ-UHFFFAOYSA-N
MW454.86 g/mol
LogP5.41
Rot. Bonds5

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 19257338) has the molecular formula C20H14ClF3N2O3S and a molecular weight of 454.86 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
PubChem CID19257338
Molecular FormulaC20H14ClF3N2O3S
Molecular Weight454.86 g/mol
Exact Mass454.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H14ClF3N2O3S/c21-17-10-9-14(20(22,23)24)12-18(17)25-19(27)13-5-4-8-16(11-13)30(28,29)26-15-6-2-1-3-7-15/h1-12,26H,(H,25,27)
InChIKeyKYBWJTAZWBUXJZ-UHFFFAOYSA-N
XLogP5.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.86
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 46763134
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4273748
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide
CID 4049236
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414636
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1302692
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 2801245

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide (CID 19257338) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is KYBWJTAZWBUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O3S/c21-17-10-9-14(20(22,23)24)12-18(17)25-19(27)13-5-4-8-16(11-13)30(28,29)26-15-6-2-1-3-7-15/h1-12,26H,(H,25,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide has a molecular weight of 454.86 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 19257338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).