4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide

C22H23N3O3S — CID 71590322

IUPAC4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc2c(n1)NCCC2)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S/c26-29(27,21-12-10-20(11-13-21)28-19-6-2-1-3-7-19)24-16-14-18-9-8-17-5-4-15-23-22(17)25-18/h1-3,6-13,24H,4-5,14-16H2,(H,23,25)
InChIKeyCLXQQNWODMREQU-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.75
Rot. Bonds7

About 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide

4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 71590322) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID71590322
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc2c(n1)NCCC2)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S/c26-29(27,21-12-10-20(11-13-21)28-19-6-2-1-3-7-19)24-16-14-18-9-8-17-5-4-15-23-22(17)25-18/h1-3,6-13,24H,4-5,14-16H2,(H,23,25)
InChIKeyCLXQQNWODMREQU-UHFFFAOYSA-N
XLogP3.75
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanesulfonamide
CID 69025708
2-[(4-phenoxybenzoyl)amino]-4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid
CID 146661518
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590344
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 7150790
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414412
1-(1-amino-3-oxo-1-phenylbut-1-en-2-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 173481126
1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590430
1-(2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590439
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide (CID 71590322) is 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc2c(n1)NCCC2)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is CLXQQNWODMREQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-29(27,21-12-10-20(11-13-21)28-19-6-2-1-3-7-19)24-16-14-18-9-8-17-5-4-15-23-22(17)25-18/h1-3,6-13,24H,4-5,14-16H2,(H,23,25).
What are the key properties of 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide?
4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71590322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).