2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide

C14H14N2O3S2 — CID 5296763

IUPAC2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S2/c15-14(17)10-20-12-6-8-13(9-7-12)21(18,19)16-11-4-2-1-3-5-11/h1-9,16H,10H2,(H2,15,17)
InChIKeyIMVNBFIMDMCUMH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.06
Rot. Bonds6

About 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide

2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide (PubChem CID 5296763) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
PubChem CID5296763
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S2/c15-14(17)10-20-12-6-8-13(9-7-12)21(18,19)16-11-4-2-1-3-5-11/h1-9,16H,10H2,(H2,15,17)
InChIKeyIMVNBFIMDMCUMH-UHFFFAOYSA-N
XLogP2.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenacylsulfanylphenyl)benzenesulfonamide
CID 19629665
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid
CID 22781476
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 22782755
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5112268
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068049
4-(phenylsulfamoyl)benzoate
CID 6997297
2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068075
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 19631448

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide?
The IUPAC name of 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide (CID 5296763) is 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide is NC(=O)CSc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide?
The InChIKey is IMVNBFIMDMCUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c15-14(17)10-20-12-6-8-13(9-7-12)21(18,19)16-11-4-2-1-3-5-11/h1-9,16H,10H2,(H2,15,17).
What are the key properties of 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide?
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide has a molecular weight of 322.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 5296763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).