2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

C31H26ClN3O5S2 — CID 43880459

IUPAC2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C31H26ClN3O5S2/c1-22-9-17-28(18-10-22)42(39,40)35(26-15-11-24(32)12-16-26)21-31(36)33-25-13-19-27(20-14-25)41(37,38)34-30-8-4-6-23-5-2-3-7-29(23)30/h2-20,34H,21H2,1H3,(H,33,36)
InChIKeyFQDUGWNIPZSKCD-UHFFFAOYSA-N
MW620.15 g/mol
LogP6.44
Rot. Bonds9

About 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (PubChem CID 43880459) has the molecular formula C31H26ClN3O5S2 and a molecular weight of 620.15 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
PubChem CID43880459
Molecular FormulaC31H26ClN3O5S2
Molecular Weight620.15 g/mol
Exact Mass619.10
IUPAC Name2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C31H26ClN3O5S2/c1-22-9-17-28(18-10-22)42(39,40)35(26-15-11-24(32)12-16-26)21-31(36)33-25-13-19-27(20-14-25)41(37,38)34-30-8-4-6-23-5-2-3-7-29(23)30/h2-20,34H,21H2,1H3,(H,33,36)
InChIKeyFQDUGWNIPZSKCD-UHFFFAOYSA-N
XLogP6.44
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.15
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881129
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 3249164
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881654
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881752
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881662
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882330
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880458
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (CID 43880459) is 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The InChIKey is FQDUGWNIPZSKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O5S2/c1-22-9-17-28(18-10-22)42(39,40)35(26-15-11-24(32)12-16-26)21-31(36)33-25-13-19-27(20-14-25)41(37,38)34-30-8-4-6-23-5-2-3-7-29(23)30/h2-20,34H,21H2,1H3,(H,33,36).
What are the key properties of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide has a molecular weight of 620.15 g/mol, XLogP of 6.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43880459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).