N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide

C16H14N2O2S2 — CID 121165981

IUPACN-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccccc1
InChIInChI=1S/C16H14N2O2S2/c19-22(20,15-4-2-1-3-5-15)18-11-13-6-8-17-16(10-13)14-7-9-21-12-14/h1-10,12,18H,11H2
InChIKeyUDBYBABECBMRKH-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.29
Rot. Bonds5

About N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide

N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121165981) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID121165981
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccccc1
InChIInChI=1S/C16H14N2O2S2/c19-22(20,15-4-2-1-3-5-15)18-11-13-6-8-17-16(10-13)14-7-9-21-12-14/h1-10,12,18H,11H2
InChIKeyUDBYBABECBMRKH-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-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
CID 121166056
4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166054
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
4-(2-chlorophenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166043
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004
1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 91625719
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 91625714
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide
CID 121165977
2,5-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166003
4-(2-phenylethynyl)-N-[(2-phenyl-4-pyridinyl)methyl]benzenesulfonamide
CID 90137222
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 121018139

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 121165981) is N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccccc1.
What is the InChIKey of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is UDBYBABECBMRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c19-22(20,15-4-2-1-3-5-15)18-11-13-6-8-17-16(10-13)14-7-9-21-12-14/h1-10,12,18H,11H2.
What are the key properties of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide 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-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121165981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).