4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C19H22N2O5S2 — CID 17200545

IUPAC4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O5S2/c1-25-17-8-7-14(13-15(17)19(22)21-9-11-26-12-10-21)28(23,24)20-16-5-3-4-6-18(16)27-2/h3-8,13,20H,9-12H2,1-2H3
InChIKeyANIROGLYASALHJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.69
Rot. Bonds6

About 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 17200545) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID17200545
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O5S2/c1-25-17-8-7-14(13-15(17)19(22)21-9-11-26-12-10-21)28(23,24)20-16-5-3-4-6-18(16)27-2/h3-8,13,20H,9-12H2,1-2H3
InChIKeyANIROGLYASALHJ-UHFFFAOYSA-N
XLogP2.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 28633946
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99130763
4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9003804
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286
N-(3-methylbutan-2-yl)-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 133249991
N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100651378
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide
CID 21367621
3-(azepane-1-carbonyl)-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 100768633
3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 2984378
4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 28569021
N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 53281021
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 17200545) is 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is ANIROGLYASALHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-25-17-8-7-14(13-15(17)19(22)21-9-11-26-12-10-21)28(23,24)20-16-5-3-4-6-18(16)27-2/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 422.53 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 17200545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).