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

C21H16ClF3N2O4S — CID 34081551

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClF3N2O4S/c1-31-18-10-9-17(26-20(28)13-3-2-4-14(11-13)21(23,24)25)12-19(18)32(29,30)27-16-7-5-15(22)6-8-16/h2-12,27H,1H3,(H,26,28)
InChIKeyHQODLRGXOKKLMT-UHFFFAOYSA-N
MW484.88 g/mol
LogP5.42
Rot. Bonds6

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

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 34081551) has the molecular formula C21H16ClF3N2O4S and a molecular weight of 484.88 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID34081551
Molecular FormulaC21H16ClF3N2O4S
Molecular Weight484.88 g/mol
Exact Mass484.05
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClF3N2O4S/c1-31-18-10-9-17(26-20(28)13-3-2-4-14(11-13)21(23,24)25)12-19(18)32(29,30)27-16-7-5-15(22)6-8-16/h2-12,27H,1H3,(H,26,28)
InChIKeyHQODLRGXOKKLMT-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-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(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

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 11977548
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400
5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 34081958
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
N-[4-(4-chlorophenyl)sulfonyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide
CID 2769179

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide (CID 34081551) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HQODLRGXOKKLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O4S/c1-31-18-10-9-17(26-20(28)13-3-2-4-14(11-13)21(23,24)25)12-19(18)32(29,30)27-16-7-5-15(22)6-8-16/h2-12,27H,1H3,(H,26,28).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(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-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 34081551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).