3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C14H19ClN2O5S — CID 1259942

IUPAC3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O5S/c1-16(10-14(18)17-5-7-22-8-6-17)23(19,20)11-3-4-13(21-2)12(15)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHQXGYCFNYFJPQN-UHFFFAOYSA-N
MW362.84 g/mol
LogP0.83
Rot. Bonds5

About 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 1259942) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID1259942
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O5S/c1-16(10-14(18)17-5-7-22-8-6-17)23(19,20)11-3-4-13(21-2)12(15)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHQXGYCFNYFJPQN-UHFFFAOYSA-N
XLogP0.83
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 1259942) is 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is HQXGYCFNYFJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-16(10-14(18)17-5-7-22-8-6-17)23(19,20)11-3-4-13(21-2)12(15)9-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 1259942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).