5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C14H21ClN2O4S — CID 1256412

IUPAC5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C14H21ClN2O4S/c1-11-9-13(20-2)14(10-12(11)15)22(18,19)16-3-4-17-5-7-21-8-6-17/h9-10,16H,3-8H2,1-2H3
InChIKeyKPBNLKGFIQTHLP-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.27
Rot. Bonds6

About 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 1256412) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID1256412
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C14H21ClN2O4S/c1-11-9-13(20-2)14(10-12(11)15)22(18,19)16-3-4-17-5-7-21-8-6-17/h9-10,16H,3-8H2,1-2H3
InChIKeyKPBNLKGFIQTHLP-UHFFFAOYSA-N
XLogP1.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 1256412) is 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1cc(C)c(Cl)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is KPBNLKGFIQTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-11-9-13(20-2)14(10-12(11)15)22(18,19)16-3-4-17-5-7-21-8-6-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 348.85 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1256412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).