N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide

C22H23N3O6S2 — CID 1304193

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C22H23N3O6S2/c1-25(32(3,27)28)19-10-4-16(5-11-19)22(26)23-17-8-14-21(15-9-17)33(29,30)24-18-6-12-20(31-2)13-7-18/h4-15,24H,1-3H3,(H,23,26)
InChIKeyLECNAJNIZJTMOA-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.14
Rot. Bonds8

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 1304193) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID1304193
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C22H23N3O6S2/c1-25(32(3,27)28)19-10-4-16(5-11-19)22(26)23-17-8-14-21(15-9-17)33(29,30)24-18-6-12-20(31-2)13-7-18/h4-15,24H,1-3H3,(H,23,26)
InChIKeyLECNAJNIZJTMOA-UHFFFAOYSA-N
XLogP3.14
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 1304193) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is LECNAJNIZJTMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-25(32(3,27)28)19-10-4-16(5-11-19)22(26)23-17-8-14-21(15-9-17)33(29,30)24-18-6-12-20(31-2)13-7-18/h4-15,24H,1-3H3,(H,23,26).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 489.58 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 1304193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).