N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C21H18Cl2N2O4S — CID 1265291

IUPACN-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)18-10-8-17(29-2)9-11-18)16-6-3-14(4-7-16)21(26)24-20-13-15(22)5-12-19(20)23/h3-13H,1-2H3,(H,24,26)
InChIKeyAPGODPGNJCDPFZ-UHFFFAOYSA-N
MW465.36 g/mol
LogP5.08
Rot. Bonds6

About N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 1265291) has the molecular formula C21H18Cl2N2O4S and a molecular weight of 465.36 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID1265291
Molecular FormulaC21H18Cl2N2O4S
Molecular Weight465.36 g/mol
Exact Mass464.04
IUPAC NameN-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)18-10-8-17(29-2)9-11-18)16-6-3-14(4-7-16)21(26)24-20-13-15(22)5-12-19(20)23/h3-13H,1-2H3,(H,24,26)
InChIKeyAPGODPGNJCDPFZ-UHFFFAOYSA-N
XLogP5.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.36
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1255251
2-[(2,5-dichlorobenzoyl)amino]-5-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]benzoic acid
CID 44513543
N-(5-chloro-2-methylphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227239
4-chloro-3-[(4-methoxybenzoyl)amino]benzenesulfonic acid
CID 139946899
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)benzamide
CID 1289268
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 43876196
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethylphenyl)benzamide
CID 5200570
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280023
N-(2,5-dichlorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2206870

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 1265291) is N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is APGODPGNJCDPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)18-10-8-17(29-2)9-11-18)16-6-3-14(4-7-16)21(26)24-20-13-15(22)5-12-19(20)23/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 465.36 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 1265291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).