3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

C28H21ClF3N3O5S — CID 4273748

IUPAC3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4cc(C(F)(F)F)ccc4Cl)c3)cc2)cc1
InChIInChI=1S/C28H21ClF3N3O5S/c1-40-22-12-10-21(11-13-22)33-26(36)17-5-8-20(9-6-17)34-27(37)18-3-2-4-23(15-18)41(38,39)35-25-16-19(28(30,31)32)7-14-24(25)29/h2-16,35H,1H3,(H,33,36)(H,34,37)
InChIKeyHGXZGITXFCBUGU-UHFFFAOYSA-N
MW604.01 g/mol
LogP6.67
Rot. Bonds8

About 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 4273748) has the molecular formula C28H21ClF3N3O5S and a molecular weight of 604.01 g/mol. Its IUPAC name is 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID4273748
Molecular FormulaC28H21ClF3N3O5S
Molecular Weight604.01 g/mol
Exact Mass603.08
IUPAC Name3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4cc(C(F)(F)F)ccc4Cl)c3)cc2)cc1
InChIInChI=1S/C28H21ClF3N3O5S/c1-40-22-12-10-21(11-13-22)33-26(36)17-5-8-20(9-6-17)34-27(37)18-3-2-4-23(15-18)41(38,39)35-25-16-19(28(30,31)32)7-14-24(25)29/h2-16,35H,1H3,(H,33,36)(H,34,37)
InChIKeyHGXZGITXFCBUGU-UHFFFAOYSA-N
XLogP6.67
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.01
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]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

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 11839556
N-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55529114
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (CID 4273748) is 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4cc(C(F)(F)F)ccc4Cl)c3)cc2)cc1.
What is the InChIKey of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is HGXZGITXFCBUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF3N3O5S/c1-40-22-12-10-21(11-13-22)33-26(36)17-5-8-20(9-6-17)34-27(37)18-3-2-4-23(15-18)41(38,39)35-25-16-19(28(30,31)32)7-14-24(25)29/h2-16,35H,1H3,(H,33,36)(H,34,37).
What are the key properties of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 604.01 g/mol, XLogP of 6.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 4273748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).