2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide

C14H12Cl2N4O2S — CID 51116086

IUPAC2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESN#Cc1cccnc1NCCNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N4O2S/c15-11-4-1-5-12(13(11)16)23(21,22)20-8-7-19-14-10(9-17)3-2-6-18-14/h1-6,20H,7-8H2,(H,18,19)
InChIKeyANZRILXAXHTFPX-UHFFFAOYSA-N
MW371.25 g/mol
LogP2.65
Rot. Bonds6

About 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide

2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide (PubChem CID 51116086) has the molecular formula C14H12Cl2N4O2S and a molecular weight of 371.25 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
PubChem CID51116086
Molecular FormulaC14H12Cl2N4O2S
Molecular Weight371.25 g/mol
Exact Mass370.01
IUPAC Name2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESN#Cc1cccnc1NCCNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N4O2S/c15-11-4-1-5-12(13(11)16)23(21,22)20-8-7-19-14-10(9-17)3-2-6-18-14/h1-6,20H,7-8H2,(H,18,19)
InChIKeyANZRILXAXHTFPX-UHFFFAOYSA-N
XLogP2.65
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 52.65
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

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55728944
4-tert-butyl-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-dimethylbenzenesulfonamide
CID 55729232
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55905845
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-5-(methylsulfamoyl)benzamide
CID 55729345
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 39743124
2-[2-(2,4-dichlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 26472030
2,3-dichloro-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615086
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide (CID 51116086) is 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide is N#Cc1cccnc1NCCNS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The InChIKey is ANZRILXAXHTFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2S/c15-11-4-1-5-12(13(11)16)23(21,22)20-8-7-19-14-10(9-17)3-2-6-18-14/h1-6,20H,7-8H2,(H,18,19).
What are the key properties of 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide?
2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide has a molecular weight of 371.25 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 51116086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).