N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide

C9H11ClN4O2S — CID 107056968

IUPACN-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nccc(C#N)c1Cl
InChIInChI=1S/C9H11ClN4O2S/c1-17(15,16)14-5-4-13-9-8(10)7(6-11)2-3-12-9/h2-3,14H,4-5H2,1H3,(H,12,13)
InChIKeyTWVCRTXPVSIIMK-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.57
Rot. Bonds5

About N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide

N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide (PubChem CID 107056968) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
PubChem CID107056968
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC NameN-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nccc(C#N)c1Cl
InChIInChI=1S/C9H11ClN4O2S/c1-17(15,16)14-5-4-13-9-8(10)7(6-11)2-3-12-9/h2-3,14H,4-5H2,1H3,(H,12,13)
InChIKeyTWVCRTXPVSIIMK-UHFFFAOYSA-N
XLogP0.57
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
N-[3-[(4-cyano-3-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 103764562
3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
CID 106417648
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 51116086
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
3-chloro-2-[2-[cyclopropyl(ethyl)amino]ethylamino]pyridine-4-carbonitrile
CID 114132665
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
2-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 107056431

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide (CID 107056968) is N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nccc(C#N)c1Cl.
What is the InChIKey of N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide?
The InChIKey is TWVCRTXPVSIIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c1-17(15,16)14-5-4-13-9-8(10)7(6-11)2-3-12-9/h2-3,14H,4-5H2,1H3,(H,12,13).
What are the key properties of N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide?
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide has a molecular weight of 274.73 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 107056968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).