5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide

C12H13ClN4O3S2 — CID 133397446

IUPAC5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCCNS(=O)(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C12H13ClN4O3S2/c13-9-6-8(11(14)18)7-16-12(9)15-3-4-17-22(19,20)10-2-1-5-21-10/h1-2,5-7,17H,3-4H2,(H2,14,18)(H,15,16)
InChIKeyDYPOADLDMIESLH-UHFFFAOYSA-N
MW360.85 g/mol
LogP1.29
Rot. Bonds7

About 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide

5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 133397446) has the molecular formula C12H13ClN4O3S2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide
PubChem CID133397446
Molecular FormulaC12H13ClN4O3S2
Molecular Weight360.85 g/mol
Exact Mass360.01
IUPAC Name5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCCNS(=O)(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C12H13ClN4O3S2/c13-9-6-8(11(14)18)7-16-12(9)15-3-4-17-22(19,20)10-2-1-5-21-10/h1-2,5-7,17H,3-4H2,(H2,14,18)(H,15,16)
InChIKeyDYPOADLDMIESLH-UHFFFAOYSA-N
XLogP1.29
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 133349938
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397375
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320645
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133421743
5-chloro-6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133325951
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80528307
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide (CID 133397446) is 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide is NC(=O)c1cnc(NCCNS(=O)(=O)c2cccs2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is DYPOADLDMIESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S2/c13-9-6-8(11(14)18)7-16-12(9)15-3-4-17-22(19,20)10-2-1-5-21-10/h1-2,5-7,17H,3-4H2,(H2,14,18)(H,15,16).
What are the key properties of 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide?
5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133397446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).