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

C17H16N2O3S — CID 110728739

IUPACN-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2ocnc2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16N2O3S/c20-23(21,15-7-5-12-3-1-2-4-13(12)9-15)19-14-6-8-17-16(10-14)18-11-22-17/h5-11,19H,1-4H2
InChIKeyVCIPEVLDEMTILX-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.51
Rot. Bonds3

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

N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 110728739) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID110728739
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2ocnc2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16N2O3S/c20-23(21,15-7-5-12-3-1-2-4-13(12)9-15)19-14-6-8-17-16(10-14)18-11-22-17/h5-11,19H,1-4H2
InChIKeyVCIPEVLDEMTILX-UHFFFAOYSA-N
XLogP3.51
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide
CID 110728785
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110728971
N-(6-oxo-1H-pyridin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110724962
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide
CID 110728755
N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71801231
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759694

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 110728739) is N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ccc2ocnc2c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is VCIPEVLDEMTILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-23(21,15-7-5-12-3-1-2-4-13(12)9-15)19-14-6-8-17-16(10-14)18-11-22-17/h5-11,19H,1-4H2.
What are the key properties of N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 110728739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).