N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H18N4O2S — CID 71801231

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H18N4O2S/c23-25(24,17-7-5-14-3-1-2-4-15(14)11-17)21-16-6-8-18(20-12-16)22-10-9-19-13-22/h5-13,21H,1-4H2
InChIKeyGNPJIUMMFMZGMU-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.95
Rot. Bonds4

About N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 71801231) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID71801231
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H18N4O2S/c23-25(24,17-7-5-14-3-1-2-4-15(14)11-17)21-16-6-8-18(20-12-16)22-10-9-19-13-22/h5-13,21H,1-4H2
InChIKeyGNPJIUMMFMZGMU-UHFFFAOYSA-N
XLogP2.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
N-(6-imidazol-1-yl-3-pyridinyl)ethanesulfonamide
CID 64592738
N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 56777957
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
6-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-sulfonamide
CID 126621995
N-[6-(benzylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113011505
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531
N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 90608258
N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728739
N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113018263
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 71801231) is N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is GNPJIUMMFMZGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-25(24,17-7-5-14-3-1-2-4-15(14)11-17)21-16-6-8-18(20-12-16)22-10-9-19-13-22/h5-13,21H,1-4H2.
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 354.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 71801231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).