5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide

C12H12ClN3O2S2 — CID 113009417

IUPAC5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C12H12ClN3O2S2/c1-2-7-14-11-5-3-9(8-15-11)16-20(17,18)12-6-4-10(13)19-12/h2-6,8,16H,1,7H2,(H,14,15)
InChIKeyPSLYNZAUFCLJET-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.20
Rot. Bonds6

About 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide

5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113009417) has the molecular formula C12H12ClN3O2S2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113009417
Molecular FormulaC12H12ClN3O2S2
Molecular Weight329.83 g/mol
Exact Mass329.01
IUPAC Name5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C12H12ClN3O2S2/c1-2-7-14-11-5-3-9(8-15-11)16-20(17,18)12-6-4-10(13)19-12/h2-6,8,16H,1,7H2,(H,14,15)
InChIKeyPSLYNZAUFCLJET-UHFFFAOYSA-N
XLogP3.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011734
N-(6-amino-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 55025745
5-chloro-N-[6-(4-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022936
2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009412
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
CID 166188989
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009406
5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022728
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113009417) is 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide is C=CCNc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1.
What is the InChIKey of 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is PSLYNZAUFCLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S2/c1-2-7-14-11-5-3-9(8-15-11)16-20(17,18)12-6-4-10(13)19-12/h2-6,8,16H,1,7H2,(H,14,15).
What are the key properties of 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide?
5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 329.83 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113009417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).