N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide

C23H23ClN2O3S2 — CID 17257534

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O3S2/c1-26(17-18-5-3-2-4-6-18)31(28,29)22-13-9-20(10-14-22)25-23(27)15-16-30-21-11-7-19(24)8-12-21/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyWDYQDQUYETVSOH-UHFFFAOYSA-N
MW475.04 g/mol
LogP5.28
Rot. Bonds9

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 17257534) has the molecular formula C23H23ClN2O3S2 and a molecular weight of 475.04 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID17257534
Molecular FormulaC23H23ClN2O3S2
Molecular Weight475.04 g/mol
Exact Mass474.08
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O3S2/c1-26(17-18-5-3-2-4-6-18)31(28,29)22-13-9-20(10-14-22)25-23(27)15-16-30-21-11-7-19(24)8-12-21/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyWDYQDQUYETVSOH-UHFFFAOYSA-N
XLogP5.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4934226
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide (CID 17257534) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is WDYQDQUYETVSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S2/c1-26(17-18-5-3-2-4-6-18)31(28,29)22-13-9-20(10-14-22)25-23(27)15-16-30-21-11-7-19(24)8-12-21/h2-14H,15-17H2,1H3,(H,25,27).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 475.04 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 17257534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).