N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide

C15H15ClN2O3S2 — CID 21435947

IUPACN-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1Cl
InChIInChI=1S/C15H15ClN2O3S2/c1-17-23(20,21)14-8-7-11(9-13(14)16)18-15(19)10-22-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyFFJZPEZDHMWVNY-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.98
Rot. Bonds6

About N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide

N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 21435947) has the molecular formula C15H15ClN2O3S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
PubChem CID21435947
Molecular FormulaC15H15ClN2O3S2
Molecular Weight370.88 g/mol
Exact Mass370.02
IUPAC NameN-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1Cl
InChIInChI=1S/C15H15ClN2O3S2/c1-17-23(20,21)14-8-7-11(9-13(14)16)18-15(19)10-22-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyFFJZPEZDHMWVNY-UHFFFAOYSA-N
XLogP2.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 9107095
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-[[2,6-diethyl-4-[(2-phenylsulfanylacetyl)amino]phenyl]methyl]-3,5-diethylphenyl]-2-phenylsulfanylacetamide
CID 4601637
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide (CID 21435947) is N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide is CNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is FFJZPEZDHMWVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S2/c1-17-23(20,21)14-8-7-11(9-13(14)16)18-15(19)10-22-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 370.88 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 21435947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).