2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C14H14N4O2S — CID 64899992

IUPAC2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccncc2)c(N)c1
InChIInChI=1S/C14H14N4O2S/c15-10-12-1-2-14(13(16)9-12)21(19,20)18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,16H2
InChIKeyOKDCUCBMQQRVOM-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.06
Rot. Bonds5

About 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide

2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 64899992) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID64899992
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccncc2)c(N)c1
InChIInChI=1S/C14H14N4O2S/c15-10-12-1-2-14(13(16)9-12)21(19,20)18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,16H2
InChIKeyOKDCUCBMQQRVOM-UHFFFAOYSA-N
XLogP1.06
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 78965166
2-amino-4-cyano-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515150
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
2-amino-N-(2-but-3-enoxyethyl)-4-cyanobenzenesulfonamide
CID 106392608
tert-butyl N-[2-[(2-amino-4-cyanophenyl)sulfonylamino]ethyl]carbamate
CID 104932801
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 64897437
2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80697531

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 64899992) is 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCc2ccncc2)c(N)c1.
What is the InChIKey of 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is OKDCUCBMQQRVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-10-12-1-2-14(13(16)9-12)21(19,20)18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,16H2.
What are the key properties of 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 64899992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).