N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide

C11H15ClN2O3S — CID 2985823

IUPACN-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-9-2-3-10(8-11(9)12)13-18(15,16)14-4-6-17-7-5-14/h2-3,8,13H,4-7H2,1H3
InChIKeyIJSIBWUPJMGYFX-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.64
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide

N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide (PubChem CID 2985823) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide
PubChem CID2985823
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-9-2-3-10(8-11(9)12)13-18(15,16)14-4-6-17-7-5-14/h2-3,8,13H,4-7H2,1H3
InChIKeyIJSIBWUPJMGYFX-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide (CID 2985823) is N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide is Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide?
The InChIKey is IJSIBWUPJMGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-9-2-3-10(8-11(9)12)13-18(15,16)14-4-6-17-7-5-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide?
N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide is sourced from PubChem (CID 2985823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).