N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide

C17H17ClN2O4S2 — CID 25034802

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O4S2/c1-11(25-15-7-3-13(18)4-8-15)17(22)19-14-5-9-16(10-6-14)26(23,24)20-12(2)21/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyFCPGDTLBMYHQKQ-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.28
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide

N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 25034802) has the molecular formula C17H17ClN2O4S2 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID25034802
Molecular FormulaC17H17ClN2O4S2
Molecular Weight412.92 g/mol
Exact Mass412.03
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O4S2/c1-11(25-15-7-3-13(18)4-8-15)17(22)19-14-5-9-16(10-6-14)26(23,24)20-12(2)21/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyFCPGDTLBMYHQKQ-UHFFFAOYSA-N
XLogP3.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25034798
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 40964488
2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 43908489
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964
methyl 4-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 970587
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
CID 25049215
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 132673976

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide (CID 25034802) is N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is FCPGDTLBMYHQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S2/c1-11(25-15-7-3-13(18)4-8-15)17(22)19-14-5-9-16(10-6-14)26(23,24)20-12(2)21/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 412.92 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 25034802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).