N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide

C28H25Cl2N3O7S2 — CID 126416137

IUPACN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)cc2)cc1OC
InChIInChI=1S/C28H25Cl2N3O7S2/c1-33(42(37,38)25-12-13-26(39-2)27(17-25)40-3)23-8-4-18(5-9-23)28(34)31-21-6-10-24(11-7-21)41(35,36)32-22-15-19(29)14-20(30)16-22/h4-17,32H,1-3H3,(H,31,34)
InChIKeyZTFVVPGQUCFDMW-UHFFFAOYSA-N
MW650.56 g/mol
LogP5.89
Rot. Bonds10

About N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 126416137) has the molecular formula C28H25Cl2N3O7S2 and a molecular weight of 650.56 g/mol. Its IUPAC name is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID126416137
Molecular FormulaC28H25Cl2N3O7S2
Molecular Weight650.56 g/mol
Exact Mass649.05
IUPAC NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)cc2)cc1OC
InChIInChI=1S/C28H25Cl2N3O7S2/c1-33(42(37,38)25-12-13-26(39-2)27(17-25)40-3)23-8-4-18(5-9-23)28(34)31-21-6-10-24(11-7-21)41(35,36)32-22-15-19(29)14-20(30)16-22/h4-17,32H,1-3H3,(H,31,34)
InChIKeyZTFVVPGQUCFDMW-UHFFFAOYSA-N
XLogP5.89
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.56
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 4565436
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2979059
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
N-(5-chloro-2-methylphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227239
4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1278404
N-[4-(2-adamantyl)phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412365
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
1-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 19680002
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide (CID 126416137) is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)cc2)cc1OC.
What is the InChIKey of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is ZTFVVPGQUCFDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O7S2/c1-33(42(37,38)25-12-13-26(39-2)27(17-25)40-3)23-8-4-18(5-9-23)28(34)31-21-6-10-24(11-7-21)41(35,36)32-22-15-19(29)14-20(30)16-22/h4-17,32H,1-3H3,(H,31,34).
What are the key properties of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 650.56 g/mol, XLogP of 5.89, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 126416137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).