N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C21H25ClN2O7S — CID 654668

IUPACN-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C21H25ClN2O7S/c1-28-18-6-4-15(22)12-17(18)24(14-21(25)23-8-10-31-11-9-23)32(26,27)16-5-7-19(29-2)20(13-16)30-3/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyRYGXXAJZENWZGK-UHFFFAOYSA-N
MW484.96 g/mol
LogP2.42
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 654668) has the molecular formula C21H25ClN2O7S and a molecular weight of 484.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID654668
Molecular FormulaC21H25ClN2O7S
Molecular Weight484.96 g/mol
Exact Mass484.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C21H25ClN2O7S/c1-28-18-6-4-15(22)12-17(18)24(14-21(25)23-8-10-31-11-9-23)32(26,27)16-5-7-19(29-2)20(13-16)30-3/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyRYGXXAJZENWZGK-UHFFFAOYSA-N
XLogP2.42
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 654668) is N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)ccc2OC)cc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is RYGXXAJZENWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O7S/c1-28-18-6-4-15(22)12-17(18)24(14-21(25)23-8-10-31-11-9-23)32(26,27)16-5-7-19(29-2)20(13-16)30-3/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 484.96 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 654668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).