2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide

C22H24N2O7S2 — CID 40904177

IUPAC2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2cc(OC)ccc2OC)c2cccnc2)cc1
InChIInChI=1S/C22H24N2O7S2/c1-29-17-6-9-19(10-7-17)32(25,26)22(16-5-4-12-23-14-16)15-24-33(27,28)21-13-18(30-2)8-11-20(21)31-3/h4-14,22,24H,15H2,1-3H3/t22-/m1/s1
InChIKeyDIBQROMLBBGBJN-JOCHJYFZSA-N
MW492.58 g/mol
LogP2.60
Rot. Bonds10

About 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide

2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 40904177) has the molecular formula C22H24N2O7S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID40904177
Molecular FormulaC22H24N2O7S2
Molecular Weight492.58 g/mol
Exact Mass492.10
IUPAC Name2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2cc(OC)ccc2OC)c2cccnc2)cc1
InChIInChI=1S/C22H24N2O7S2/c1-29-17-6-9-19(10-7-17)32(25,26)22(16-5-4-12-23-14-16)15-24-33(27,28)21-13-18(30-2)8-11-20(21)31-3/h4-14,22,24H,15H2,1-3H3/t22-/m1/s1
InChIKeyDIBQROMLBBGBJN-JOCHJYFZSA-N
XLogP2.60
TPSA120.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 21002179
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 21007728
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995702
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide (CID 40904177) is 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2cc(OC)ccc2OC)c2cccnc2)cc1.
What is the InChIKey of 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is DIBQROMLBBGBJN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O7S2/c1-29-17-6-9-19(10-7-17)32(25,26)22(16-5-4-12-23-14-16)15-24-33(27,28)21-13-18(30-2)8-11-20(21)31-3/h4-14,22,24H,15H2,1-3H3/t22-/m1/s1.
What are the key properties of 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide?
2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 492.58 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 40904177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).