2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide

C10H13ClN2O3S — CID 804718

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyLXUOLKLLMGMCAN-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.71
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 804718) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID804718
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyLXUOLKLLMGMCAN-UHFFFAOYSA-N
XLogP0.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 804718) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is LXUOLKLLMGMCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 276.75 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 804718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).