N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide

C22H23N3O7S2 — CID 2225777

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)c1
InChIInChI=1S/C22H23N3O7S2/c1-31-18-10-13-21(32-2)20(14-18)25-34(29,30)19-11-8-16(9-12-19)23-22(26)15-4-6-17(7-5-15)24-33(3,27)28/h4-14,24-25H,1-3H3,(H,23,26)
InChIKeyGEJVYKCECTVSQT-UHFFFAOYSA-N
MW505.57 g/mol
LogP3.13
Rot. Bonds9

About N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide (PubChem CID 2225777) has the molecular formula C22H23N3O7S2 and a molecular weight of 505.57 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
PubChem CID2225777
Molecular FormulaC22H23N3O7S2
Molecular Weight505.57 g/mol
Exact Mass505.10
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)c1
InChIInChI=1S/C22H23N3O7S2/c1-31-18-10-13-21(32-2)20(14-18)25-34(29,30)19-11-8-16(9-12-19)23-22(26)15-4-6-17(7-5-15)24-33(3,27)28/h4-14,24-25H,1-3H3,(H,23,26)
InChIKeyGEJVYKCECTVSQT-UHFFFAOYSA-N
XLogP3.13
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3,5-dimethoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2116569
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
N-(2-ethoxyphenyl)-4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 1266608
(2-Benzamidophenyl) 4-methoxybenzenesulfonate
CID 9886310
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
Rac1-IN-5
CID 2198266
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 137353879
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
N-(2,5-Dimethoxy-phenyl)-4-(4-methyl-piperazine-1-sulfonyl)-benzamide
CID 644458
N-(2,5-dimethoxyphenyl)-2-(methylthio)benzamide
CID 966884
4-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 973961

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide (CID 2225777) is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The InChIKey is GEJVYKCECTVSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O7S2/c1-31-18-10-13-21(32-2)20(14-18)25-34(29,30)19-11-8-16(9-12-19)23-22(26)15-4-6-17(7-5-15)24-33(3,27)28/h4-14,24-25H,1-3H3,(H,23,26).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide has a molecular weight of 505.57 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 2225777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).