4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide

C16H15N3O4S3 — CID 121166056

IUPAC4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1
InChIInChI=1S/C16H15N3O4S3/c17-25(20,21)14-1-3-15(4-2-14)26(22,23)19-10-12-5-7-18-16(9-12)13-6-8-24-11-13/h1-9,11,19H,10H2,(H2,17,20,21)
InChIKeyQAHQBPXJCULGGM-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.94
Rot. Bonds6

About 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide

4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide (PubChem CID 121166056) has the molecular formula C16H15N3O4S3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
PubChem CID121166056
Molecular FormulaC16H15N3O4S3
Molecular Weight409.51 g/mol
Exact Mass409.02
IUPAC Name4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1
InChIInChI=1S/C16H15N3O4S3/c17-25(20,21)14-1-3-15(4-2-14)26(22,23)19-10-12-5-7-18-16(9-12)13-6-8-24-11-13/h1-9,11,19H,10H2,(H2,17,20,21)
InChIKeyQAHQBPXJCULGGM-UHFFFAOYSA-N
XLogP1.94
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide with MolForge

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Related Compounds

4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166054
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 91625719
4-(2-chlorophenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166043
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004
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
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 91625714
4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165646
5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625706

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide (CID 121166056) is 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1.
What is the InChIKey of 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide?
The InChIKey is QAHQBPXJCULGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S3/c17-25(20,21)14-1-3-15(4-2-14)26(22,23)19-10-12-5-7-18-16(9-12)13-6-8-24-11-13/h1-9,11,19H,10H2,(H2,17,20,21).
What are the key properties of 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide?
4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide has a molecular weight of 409.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 121166056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).