N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

C16H16Cl2N2O4S — CID 1331482

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4S/c1-20(25(22,23)13-6-3-11(17)4-7-13)10-16(21)19-12-5-8-15(24-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyXCSXAHHIQMVARF-UHFFFAOYSA-N
MW403.29 g/mol
LogP3.26
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 1331482) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID1331482
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4S/c1-20(25(22,23)13-6-3-11(17)4-7-13)10-16(21)19-12-5-8-15(24-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyXCSXAHHIQMVARF-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 1331482) is N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is XCSXAHHIQMVARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c1-20(25(22,23)13-6-3-11(17)4-7-13)10-16(21)19-12-5-8-15(24-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 403.29 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1331482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).