6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H17NO3S — CID 59021826

IUPAC6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)C1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H17NO3S/c18-17(19)16-8-4-5-12-11-14(9-10-15(12)16)22(20,21)13-6-2-1-3-7-13/h1-3,6-7,9-11,16H,4-5,8H2,(H2,18,19)
InChIKeyFYEXYFFIQHSUGX-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.42
Rot. Bonds3

About 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59021826) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59021826
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)C1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H17NO3S/c18-17(19)16-8-4-5-12-11-14(9-10-15(12)16)22(20,21)13-6-2-1-3-7-13/h1-3,6-7,9-11,16H,4-5,8H2,(H2,18,19)
InChIKeyFYEXYFFIQHSUGX-UHFFFAOYSA-N
XLogP2.42
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59021826) is 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC(=O)C1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is FYEXYFFIQHSUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c18-17(19)16-8-4-5-12-11-14(9-10-15(12)16)22(20,21)13-6-2-1-3-7-13/h1-3,6-7,9-11,16H,4-5,8H2,(H2,18,19).
What are the key properties of 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59021826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).