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

C11H15ClN2O4S — CID 2980579

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H15ClN2O4S/c1-13-11(15)7-14(2)19(16,17)8-4-5-10(18-3)9(12)6-8/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyZRECFRIQMOGMNI-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.72
Rot. Bonds5

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

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 2980579) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID2980579
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H15ClN2O4S/c1-13-11(15)7-14(2)19(16,17)8-4-5-10(18-3)9(12)6-8/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyZRECFRIQMOGMNI-UHFFFAOYSA-N
XLogP0.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide (CID 2980579) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is ZRECFRIQMOGMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-13-11(15)7-14(2)19(16,17)8-4-5-10(18-3)9(12)6-8/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 306.77 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 2980579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).