3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

C22H22N2O6S2 — CID 4966600

IUPAC3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O6S2/c1-30-19-12-10-17(11-13-19)24-32(28,29)21-9-5-6-18(16-21)23-22(25)14-15-31(26,27)20-7-3-2-4-8-20/h2-13,16,24H,14-15H2,1H3,(H,23,25)
InChIKeyWHGMKOOTILJOKO-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.30
Rot. Bonds9

About 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 4966600) has the molecular formula C22H22N2O6S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID4966600
Molecular FormulaC22H22N2O6S2
Molecular Weight474.56 g/mol
Exact Mass474.09
IUPAC Name3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O6S2/c1-30-19-12-10-17(11-13-19)24-32(28,29)21-9-5-6-18(16-21)23-22(25)14-15-31(26,27)20-7-3-2-4-8-20/h2-13,16,24H,14-15H2,1H3,(H,23,25)
InChIKeyWHGMKOOTILJOKO-UHFFFAOYSA-N
XLogP3.30
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
N-[4-(3-Methoxy-benzenesulfonyl)-phenyl]-butyramide
CID 9797715
N-(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl)acetamide
CID 15941553
(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 26719840
2-amino-N-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]acetamide
CID 53378637
methyl N-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]carbamate
CID 72714339
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 92481102

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (CID 4966600) is 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is WHGMKOOTILJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S2/c1-30-19-12-10-17(11-13-19)24-32(28,29)21-9-5-6-18(16-21)23-22(25)14-15-31(26,27)20-7-3-2-4-8-20/h2-13,16,24H,14-15H2,1H3,(H,23,25).
What are the key properties of 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 474.56 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 4966600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).