N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H19N3O2S — CID 110728587

IUPACN-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1cnc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21
InChIInChI=1S/C18H19N3O2S/c1-21-12-19-17-11-15(7-9-18(17)21)20-24(22,23)16-8-6-13-4-2-3-5-14(13)10-16/h6-12,20H,2-5H2,1H3
InChIKeyKPMDBMOYJAAXSH-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.25
Rot. Bonds3

About N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 110728587) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID110728587
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1cnc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21
InChIInChI=1S/C18H19N3O2S/c1-21-12-19-17-11-15(7-9-18(17)21)20-24(22,23)16-8-6-13-4-2-3-5-14(13)10-16/h6-12,20H,2-5H2,1H3
InChIKeyKPMDBMOYJAAXSH-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide
CID 110760353
N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728739
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
CID 110760236
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112771015
N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71801231
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35548958
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110734864

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 110728587) is N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cn1cnc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21.
What is the InChIKey of N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KPMDBMOYJAAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21-12-19-17-11-15(7-9-18(17)21)20-24(22,23)16-8-6-13-4-2-3-5-14(13)10-16/h6-12,20H,2-5H2,1H3.
What are the key properties of N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 110728587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).