N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H23N3O2S — CID 112982966

IUPACN-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccccn2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23N3O2S/c26-28(27,22-13-8-17-5-1-2-6-18(17)15-22)25-20-11-9-19(10-12-20)24-16-21-7-3-4-14-23-21/h3-4,7-15,24-25H,1-2,5-6,16H2
InChIKeyODIJHWJNGOYIIY-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.37
Rot. Bonds6

About N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 112982966) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID112982966
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccccn2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23N3O2S/c26-28(27,22-13-8-17-5-1-2-6-18(17)15-22)25-20-11-9-19(10-12-20)24-16-21-7-3-4-14-23-21/h3-4,7-15,24-25H,1-2,5-6,16H2
InChIKeyODIJHWJNGOYIIY-UHFFFAOYSA-N
XLogP4.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110661050
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333
N-[6-(benzylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113011505
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112982956
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 112982966) is N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(NCc2ccccn2)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is ODIJHWJNGOYIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-28(27,22-13-8-17-5-1-2-6-18(17)15-22)25-20-11-9-19(10-12-20)24-16-21-7-3-4-14-23-21/h3-4,7-15,24-25H,1-2,5-6,16H2.
What are the key properties of N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 112982966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).