2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide

C14H12Cl2N2O3S2 — CID 9068061

IUPAC2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3S2/c15-10-6-5-9(7-11(10)16)23(20,21)18-12-3-1-2-4-13(12)22-8-14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyRHKAGPPQVYOXEE-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.37
Rot. Bonds6

About 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide

2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 9068061) has the molecular formula C14H12Cl2N2O3S2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID9068061
Molecular FormulaC14H12Cl2N2O3S2
Molecular Weight391.30 g/mol
Exact Mass389.97
IUPAC Name2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3S2/c15-10-6-5-9(7-11(10)16)23(20,21)18-12-3-1-2-4-13(12)22-8-14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyRHKAGPPQVYOXEE-UHFFFAOYSA-N
XLogP3.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068075
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068095
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068049
2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068077
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 61052007
2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997047
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 8840935
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 131855550
2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068119
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide (CID 9068061) is 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is RHKAGPPQVYOXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S2/c15-10-6-5-9(7-11(10)16)23(20,21)18-12-3-1-2-4-13(12)22-8-14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide?
2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 391.30 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 9068061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).