N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide

C16H14N2O2S2 — CID 141000174

IUPACN-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C16H14N2O2S2/c19-22(20,18-12-13-3-1-9-17-11-13)15-7-5-14(6-8-15)16-4-2-10-21-16/h1-11,18H,12H2
InChIKeyAOSCZPGIDPXBSY-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.29
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide

N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide (PubChem CID 141000174) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide
PubChem CID141000174
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C16H14N2O2S2/c19-22(20,18-12-13-3-1-9-17-11-13)15-7-5-14(6-8-15)16-4-2-10-21-16/h1-11,18H,12H2
InChIKeyAOSCZPGIDPXBSY-UHFFFAOYSA-N
XLogP3.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086
4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91630721
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
4-(3-aminoprop-1-ynyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60846057
4-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 3769450
N-fluoro-4-thiophen-2-ylbenzenesulfonamide
CID 87730443
3-amino-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 82845301
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 1244719
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide (CID 141000174) is N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide is O=S(=O)(NCc1cccnc1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide?
The InChIKey is AOSCZPGIDPXBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c19-22(20,18-12-13-3-1-9-17-11-13)15-7-5-14(6-8-15)16-4-2-10-21-16/h1-11,18H,12H2.
What are the key properties of N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide?
N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide is sourced from PubChem (CID 141000174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).