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

C15H13F3N4O2S — CID 55728944

IUPACN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cccnc1NCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O2S/c16-15(17,18)12-5-1-2-6-13(12)25(23,24)22-9-8-21-14-11(10-19)4-3-7-20-14/h1-7,22H,8-9H2,(H,20,21)
InChIKeyDVKMYMSMRLTEOW-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.36
Rot. Bonds6

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

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 55728944) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID55728944
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cccnc1NCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O2S/c16-15(17,18)12-5-1-2-6-13(12)25(23,24)22-9-8-21-14-11(10-19)4-3-7-20-14/h1-7,22H,8-9H2,(H,20,21)
InChIKeyDVKMYMSMRLTEOW-UHFFFAOYSA-N
XLogP2.36
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.36
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

2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 51116086
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
CID 133270380
4-tert-butyl-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-dimethylbenzenesulfonamide
CID 55729232
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylsulfanylmethyl]benzonitrile
CID 112820590
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
4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 87032884
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 55728944) is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide is N#Cc1cccnc1NCCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DVKMYMSMRLTEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c16-15(17,18)12-5-1-2-6-13(12)25(23,24)22-9-8-21-14-11(10-19)4-3-7-20-14/h1-7,22H,8-9H2,(H,20,21).
What are the key properties of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55728944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).