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

C21H16ClF3N2O4S — CID 4312419

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H16ClF3N2O4S/c1-31-18-11-10-15(26-20(28)13-6-8-14(9-7-13)21(23,24)25)12-19(18)32(29,30)27-17-5-3-2-4-16(17)22/h2-12,27H,1H3,(H,26,28)
InChIKeyBVIDOMYUFZIVJD-UHFFFAOYSA-N
MW484.88 g/mol
LogP5.42
Rot. Bonds6

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

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide (PubChem CID 4312419) has the molecular formula C21H16ClF3N2O4S and a molecular weight of 484.88 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
PubChem CID4312419
Molecular FormulaC21H16ClF3N2O4S
Molecular Weight484.88 g/mol
Exact Mass484.05
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H16ClF3N2O4S/c1-31-18-11-10-15(26-20(28)13-6-8-14(9-7-13)21(23,24)25)12-19(18)32(29,30)27-17-5-3-2-4-16(17)22/h2-12,27H,1H3,(H,26,28)
InChIKeyBVIDOMYUFZIVJD-UHFFFAOYSA-N
XLogP5.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.88
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
CID 24637119
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4007249
(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide
CID 60575699
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide
CID 170977309
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 24637106
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide (CID 4312419) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BVIDOMYUFZIVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O4S/c1-31-18-11-10-15(26-20(28)13-6-8-14(9-7-13)21(23,24)25)12-19(18)32(29,30)27-17-5-3-2-4-16(17)22/h2-12,27H,1H3,(H,26,28).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 484.88 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4312419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).