1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide

C17H14Cl2N4O2S — CID 126816712

IUPAC1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-n2ccnc2)c1)C(Cl)=C(Cl)c1ccccc1
InChIInChI=1S/C17H14Cl2N4O2S/c18-16(14-4-2-1-3-5-14)17(19)26(24,25)22-11-13-6-7-21-15(10-13)23-9-8-20-12-23/h1-10,12,22H,11H2
InChIKeyHQRYNJLUXVBFTE-UHFFFAOYSA-N
MW409.30 g/mol
LogP3.49
Rot. Bonds6

About 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide

1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide (PubChem CID 126816712) has the molecular formula C17H14Cl2N4O2S and a molecular weight of 409.30 g/mol. Its IUPAC name is 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide
PubChem CID126816712
Molecular FormulaC17H14Cl2N4O2S
Molecular Weight409.30 g/mol
Exact Mass408.02
IUPAC Name1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-n2ccnc2)c1)C(Cl)=C(Cl)c1ccccc1
InChIInChI=1S/C17H14Cl2N4O2S/c18-16(14-4-2-1-3-5-14)17(19)26(24,25)22-11-13-6-7-21-15(10-13)23-9-8-20-12-23/h1-10,12,22H,11H2
InChIKeyHQRYNJLUXVBFTE-UHFFFAOYSA-N
XLogP3.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1H-imidazol-1-yl)pyridin-4-yl]methanamine
CID 16782615
4-[4-Chloro-5-(6-chloro-pyridin-3-yl)-imidazol-1-yl]-benzenesulfonamide
CID 10981473
N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide
CID 57378281
N-[3-(4-imidazol-1-ylpyrimidin-5-yl)phenyl]methanesulfonamide
CID 3232705
N-[3-(4-imidazol-1-ylpyrimidin-2-yl)phenyl]methanesulfonamide
CID 3234914
3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]piperidine-1-sulfonamide
CID 47064960
N-Benzyl-6-(1H-imidazol-1-YL)pyrimidin-4-amine
CID 53015204
5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 56805732
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 71923683
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 71988773
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 71988774
2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 72153440

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide?
The IUPAC name of 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide (CID 126816712) is 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide?
The canonical SMILES for 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide is O=S(=O)(NCc1ccnc(-n2ccnc2)c1)C(Cl)=C(Cl)c1ccccc1.
What is the InChIKey of 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide?
The InChIKey is HQRYNJLUXVBFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2S/c18-16(14-4-2-1-3-5-14)17(19)26(24,25)22-11-13-6-7-21-15(10-13)23-9-8-20-12-23/h1-10,12,22H,11H2.
What are the key properties of 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide?
1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide has a molecular weight of 409.30 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 126816712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).