5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide

C15H17NO3S2 — CID 107522514

IUPAC5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1csc(CO)c1
InChIInChI=1S/C15H17NO3S2/c17-9-12-8-13(10-20-12)21(18,19)16-15-7-3-5-11-4-1-2-6-14(11)15/h3,5,7-8,10,16-17H,1-2,4,6,9H2
InChIKeyBMAHGEUDQSQQMQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.92
Rot. Bonds4

About 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide

5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide (PubChem CID 107522514) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
PubChem CID107522514
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1csc(CO)c1
InChIInChI=1S/C15H17NO3S2/c17-9-12-8-13(10-20-12)21(18,19)16-15-7-3-5-11-4-1-2-6-14(11)15/h3,5,7-8,10,16-17H,1-2,4,6,9H2
InChIKeyBMAHGEUDQSQQMQ-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide (CID 107522514) is 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide is O=S(=O)(Nc1cccc2c1CCCC2)c1csc(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The InChIKey is BMAHGEUDQSQQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-9-12-8-13(10-20-12)21(18,19)16-15-7-3-5-11-4-1-2-6-14(11)15/h3,5,7-8,10,16-17H,1-2,4,6,9H2.
What are the key properties of 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 107522514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).