N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide

C21H18Cl2N2O4S2 — CID 46771978

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2N2O4S2/c1-29-15-7-9-16(10-8-15)30-13-20(26)24-14-5-11-17(12-6-14)31(27,28)25-19-4-2-3-18(22)21(19)23/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeySIJWHJBXAUTDKH-UHFFFAOYSA-N
MW497.43 g/mol
LogP5.53
Rot. Bonds8

About N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 46771978) has the molecular formula C21H18Cl2N2O4S2 and a molecular weight of 497.43 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID46771978
Molecular FormulaC21H18Cl2N2O4S2
Molecular Weight497.43 g/mol
Exact Mass496.01
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2N2O4S2/c1-29-15-7-9-16(10-8-15)30-13-20(26)24-14-5-11-17(12-6-14)31(27,28)25-19-4-2-3-18(22)21(19)23/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeySIJWHJBXAUTDKH-UHFFFAOYSA-N
XLogP5.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.43
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3909641
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 43907526
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881724
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-[(Z)-3-[4-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylanilino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 21386519
2-(4-methoxyphenyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 38011386
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 126186170

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 46771978) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is SIJWHJBXAUTDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S2/c1-29-15-7-9-16(10-8-15)30-13-20(26)24-14-5-11-17(12-6-14)31(27,28)25-19-4-2-3-18(22)21(19)23/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 497.43 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 46771978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).