2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide

C11H15ClN2O3S — CID 110609461

IUPAC2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2O3S/c1-13-18(15,16)14-5-6-17-11(8-14)9-3-2-4-10(12)7-9/h2-4,7,11,13H,5-6,8H2,1H3
InChIKeyUMDFAOPTIRJUHD-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.18
Rot. Bonds3

About 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide

2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide (PubChem CID 110609461) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
PubChem CID110609461
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2O3S/c1-13-18(15,16)14-5-6-17-11(8-14)9-3-2-4-10(12)7-9/h2-4,7,11,13H,5-6,8H2,1H3
InChIKeyUMDFAOPTIRJUHD-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide?
The IUPAC name of 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide (CID 110609461) is 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide is CNS(=O)(=O)N1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide?
The InChIKey is UMDFAOPTIRJUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-13-18(15,16)14-5-6-17-11(8-14)9-3-2-4-10(12)7-9/h2-4,7,11,13H,5-6,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide?
2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 110609461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).