N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine

C19H16N2O4S2 — CID 15591383

IUPACN-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine
SMILESO=S(=O)(C(=CNc1ccccn1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O4S2/c22-26(23,16-9-3-1-4-10-16)19(15-21-18-13-7-8-14-20-18)27(24,25)17-11-5-2-6-12-17/h1-15H,(H,20,21)
InChIKeyXLTDKKOKERUEOF-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.24
Rot. Bonds6

About N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine

N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine (PubChem CID 15591383) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine
PubChem CID15591383
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC NameN-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine
SMILESO=S(=O)(C(=CNc1ccccn1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O4S2/c22-26(23,16-9-3-1-4-10-16)19(15-21-18-13-7-8-14-20-18)27(24,25)17-11-5-2-6-12-17/h1-15H,(H,20,21)
InChIKeyXLTDKKOKERUEOF-UHFFFAOYSA-N
XLogP3.24
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine
CID 88656932
(Z)-3-chloro-1,1,1-trifluoro-4-(pyridin-2-ylamino)but-3-en-2-one
CID 2317493
(E)-3-chloro-1,1,1-trifluoro-4-(pyridin-2-ylamino)but-3-en-2-one
CID 6361680
cyclopropane;N-pyridin-2-ylformamide
CID 170968327
(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 5310821
(Z)-2-(cyclopropanecarbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 5458907
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(pyridin-2-ylamino)prop-2-enamide
CID 108818677
N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine
CID 15591431
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 108841172
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
3-[(5-chloro-2-pyridinyl)amino]-2-pyridin-2-ylsulfonylprop-2-enenitrile
CID 3817583

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine?
The IUPAC name of N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine (CID 15591383) is N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine.
What is the SMILES notation for N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine?
The canonical SMILES for N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine is O=S(=O)(C(=CNc1ccccn1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine?
The InChIKey is XLTDKKOKERUEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c22-26(23,16-9-3-1-4-10-16)19(15-21-18-13-7-8-14-20-18)27(24,25)17-11-5-2-6-12-17/h1-15H,(H,20,21).
What are the key properties of N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine?
N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine has a molecular weight of 400.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine is sourced from PubChem (CID 15591383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).