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

C17H16N2O2S2 — CID 91625699

IUPAC3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)c1
InChIInChI=1S/C17H16N2O2S2/c1-13-3-2-4-16(9-13)23(20,21)19-11-14-5-7-18-17(10-14)15-6-8-22-12-15/h2-10,12,19H,11H2,1H3
InChIKeyBNCBBCMIODTFSI-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.60
Rot. Bonds5

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

3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91625699) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID91625699
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)c1
InChIInChI=1S/C17H16N2O2S2/c1-13-3-2-4-16(9-13)23(20,21)19-11-14-5-7-18-17(10-14)15-6-8-22-12-15/h2-10,12,19H,11H2,1H3
InChIKeyBNCBBCMIODTFSI-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
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
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-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 91630513
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide
CID 121165977
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 91625714
4-(2-chlorophenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166043
2,5-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166003
4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 91625699) is 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)c1.
What is the InChIKey of 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is BNCBBCMIODTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-13-3-2-4-16(9-13)23(20,21)19-11-14-5-7-18-17(10-14)15-6-8-22-12-15/h2-10,12,19H,11H2,1H3.
What are the key properties of 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91625699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).