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

C20H14ClF3N2O3S — CID 26593106

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14ClF3N2O3S/c21-17-6-1-2-7-18(17)26-30(28,29)16-5-3-4-15(12-16)25-19(27)13-8-10-14(11-9-13)20(22,23)24/h1-12,26H,(H,25,27)
InChIKeyOKTPGYWBCGVWOD-UHFFFAOYSA-N
MW454.86 g/mol
LogP5.41
Rot. Bonds5

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

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 26593106) has the molecular formula C20H14ClF3N2O3S and a molecular weight of 454.86 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID26593106
Molecular FormulaC20H14ClF3N2O3S
Molecular Weight454.86 g/mol
Exact Mass454.04
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14ClF3N2O3S/c21-17-6-1-2-7-18(17)26-30(28,29)16-5-3-4-15(12-16)25-19(27)13-8-10-14(11-9-13)20(22,23)24/h1-12,26H,(H,25,27)
InChIKeyOKTPGYWBCGVWOD-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

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 32738196
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5101960
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4570058
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide (CID 26593106) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is OKTPGYWBCGVWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O3S/c21-17-6-1-2-7-18(17)26-30(28,29)16-5-3-4-15(12-16)25-19(27)13-8-10-14(11-9-13)20(22,23)24/h1-12,26H,(H,25,27).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)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-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 26593106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).