2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide

C10H12ClN3O2S — CID 61046101

IUPAC2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H12ClN3O2S/c1-8(6-12)7-14(2)17(15,16)9-3-4-13-10(11)5-9/h3-5,8H,7H2,1-2H3
InChIKeyFJHHHESQDAHMHH-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.52
Rot. Bonds4

About 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide

2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide (PubChem CID 61046101) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
PubChem CID61046101
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H12ClN3O2S/c1-8(6-12)7-14(2)17(15,16)9-3-4-13-10(11)5-9/h3-5,8H,7H2,1-2H3
InChIKeyFJHHHESQDAHMHH-UHFFFAOYSA-N
XLogP1.52
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
CID 61003109
N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 42961147
5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide
CID 64600117
5-chloro-N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608758
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61051895
3-acetyl-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 47204653
4-(cyanomethyl)-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 79185385
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 61139208
N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62158366
3-amino-N-(2-cyanopropyl)-N,5-dimethylbenzenesulfonamide
CID 61138827
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
CID 61053398
N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62159264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide (CID 61046101) is 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide is CC(C#N)CN(C)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide?
The InChIKey is FJHHHESQDAHMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-8(6-12)7-14(2)17(15,16)9-3-4-13-10(11)5-9/h3-5,8H,7H2,1-2H3.
What are the key properties of 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide?
2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide has a molecular weight of 273.75 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 61046101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).