2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide

C12H13ClN4O2S — CID 61051988

IUPAC2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cn1
InChIInChI=1S/C12H13ClN4O2S/c1-17(2)12-4-3-9(8-15-12)16-20(18,19)10-5-6-14-11(13)7-10/h3-8,16H,1-2H3
InChIKeyUKBHGKXKJJGNNW-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.00
Rot. Bonds4

About 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide

2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide (PubChem CID 61051988) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
PubChem CID61051988
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cn1
InChIInChI=1S/C12H13ClN4O2S/c1-17(2)12-4-3-9(8-15-12)16-20(18,19)10-5-6-14-11(13)7-10/h3-8,16H,1-2H3
InChIKeyUKBHGKXKJJGNNW-UHFFFAOYSA-N
XLogP2.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 106611697
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
CID 103709775
2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61003549
5-bromo-2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61300839
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
N-(1,3-benzodioxol-5-yl)-2-chloropyridine-4-sulfonamide
CID 61003220
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 61051800
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide
CID 61053133
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
2-chloro-N-(5-fluoro-2-pyridinyl)pyridine-4-sulfonamide
CID 65482049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide (CID 61051988) is 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide is CN(C)c1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cn1.
What is the InChIKey of 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide?
The InChIKey is UKBHGKXKJJGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-17(2)12-4-3-9(8-15-12)16-20(18,19)10-5-6-14-11(13)7-10/h3-8,16H,1-2H3.
What are the key properties of 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide?
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61051988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).