N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide

C21H19ClN2O3S2 — CID 22782055

IUPACN-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S2/c1-15-6-12-18(13-7-15)29(26,27)24-16-8-10-17(11-9-16)28-14-21(25)23-20-5-3-2-4-19(20)22/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyMNDDRHZHVPRBSA-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.18
Rot. Bonds7

About N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide

N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 22782055) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID22782055
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC NameN-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S2/c1-15-6-12-18(13-7-15)29(26,27)24-16-8-10-17(11-9-16)28-14-21(25)23-20-5-3-2-4-19(20)22/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyMNDDRHZHVPRBSA-UHFFFAOYSA-N
XLogP5.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23101443
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 126186170
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135460620
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 46771978

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide (CID 22782055) is N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide is Cc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is MNDDRHZHVPRBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c1-15-6-12-18(13-7-15)29(26,27)24-16-8-10-17(11-9-16)28-14-21(25)23-20-5-3-2-4-19(20)22/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 446.98 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 22782055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).