4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C13H19ClN2O3S — CID 747984

IUPAC4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-11-10-12(2-3-13(11)14)20(17,18)15-4-5-16-6-8-19-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyOGAUZDNYWAOXIX-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.26
Rot. Bonds5

About 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 747984) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID747984
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-11-10-12(2-3-13(11)14)20(17,18)15-4-5-16-6-8-19-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyOGAUZDNYWAOXIX-UHFFFAOYSA-N
XLogP1.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 747984) is 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is OGAUZDNYWAOXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-11-10-12(2-3-13(11)14)20(17,18)15-4-5-16-6-8-19-9-7-16/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 747984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).