4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide

C22H22N2O3S2 — CID 46763590

IUPAC4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
SMILESCCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H22N2O3S2/c1-3-28-21-12-8-7-11-20(21)23-22(25)17-13-14-19(16(2)15-17)24-29(26,27)18-9-5-4-6-10-18/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyGWGJQVKTIOXOOJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.16
Rot. Bonds7

About 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide

4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide (PubChem CID 46763590) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
PubChem CID46763590
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Name4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
SMILESCCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H22N2O3S2/c1-3-28-21-12-8-7-11-20(21)23-22(25)17-13-14-19(16(2)15-17)24-29(26,27)18-9-5-4-6-10-18/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyGWGJQVKTIOXOOJ-UHFFFAOYSA-N
XLogP5.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide
CID 30379122
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
CID 28571796
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
4-(benzenesulfonamido)-3-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 30396065
methyl 2-[[5-[[4-(benzenesulfonamido)-3-methylbenzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 100531277
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
CID 30391889
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
N-(1-adamantyl)-4-(benzenesulfonamido)-3-methylbenzamide
CID 19062748

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide (CID 46763590) is 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide is CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide?
The InChIKey is GWGJQVKTIOXOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-3-28-21-12-8-7-11-20(21)23-22(25)17-13-14-19(16(2)15-17)24-29(26,27)18-9-5-4-6-10-18/h4-15,24H,3H2,1-2H3,(H,23,25).
What are the key properties of 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide?
4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide has a molecular weight of 426.56 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide is sourced from PubChem (CID 46763590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).