4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide

C15H12BrNO2S2 — CID 35582526

IUPAC4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H12BrNO2S2/c16-14-7-8-15(13-6-2-1-5-12(13)14)21(18,19)17-10-11-4-3-9-20-11/h1-9,17H,10H2
InChIKeyGADSTTAWOKMDQM-UHFFFAOYSA-N
MW382.30 g/mol
LogP4.14
Rot. Bonds4

About 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide

4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 35582526) has the molecular formula C15H12BrNO2S2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
PubChem CID35582526
Molecular FormulaC15H12BrNO2S2
Molecular Weight382.30 g/mol
Exact Mass380.95
IUPAC Name4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H12BrNO2S2/c16-14-7-8-15(13-6-2-1-5-12(13)14)21(18,19)17-10-11-4-3-9-20-11/h1-9,17H,10H2
InChIKeyGADSTTAWOKMDQM-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide (CID 35582526) is 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide is O=S(=O)(NCc1cccs1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is GADSTTAWOKMDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S2/c16-14-7-8-15(13-6-2-1-5-12(13)14)21(18,19)17-10-11-4-3-9-20-11/h1-9,17H,10H2.
What are the key properties of 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide?
4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 382.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 35582526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).