N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide

C21H19ClN2O3S — CID 100532256

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-3-4-15(2)20(13-14)21(25)23-17-9-11-19(12-10-17)28(26,27)24-18-7-5-16(22)6-8-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyUYUQNTCEMTURST-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide (PubChem CID 100532256) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
PubChem CID100532256
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-3-4-15(2)20(13-14)21(25)23-17-9-11-19(12-10-17)28(26,27)24-18-7-5-16(22)6-8-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyUYUQNTCEMTURST-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
CID 167860654
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate
CID 5017065
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide (CID 100532256) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide?
The InChIKey is UYUQNTCEMTURST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-3-4-15(2)20(13-14)21(25)23-17-9-11-19(12-10-17)28(26,27)24-18-7-5-16(22)6-8-18/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide has a molecular weight of 414.91 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 100532256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).