(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide

C18H16ClN3O2S — CID 31841750

IUPAC(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16ClN3O2S/c19-17-8-6-15(7-9-17)10-11-25(23,24)21-13-16-12-20-22(14-16)18-4-2-1-3-5-18/h1-12,14,21H,13H2/b11-10+
InChIKeyZEUXGIYKCGOVPF-ZHACJKMWSA-N
MW373.87 g/mol
LogP3.62
Rot. Bonds6

About (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide (PubChem CID 31841750) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
PubChem CID31841750
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16ClN3O2S/c19-17-8-6-15(7-9-17)10-11-25(23,24)21-13-16-12-20-22(14-16)18-4-2-1-3-5-18/h1-12,14,21H,13H2/b11-10+
InChIKeyZEUXGIYKCGOVPF-ZHACJKMWSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
CID 91942582
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
2,3,4-trifluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 31841722
4-chloro-2-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 37262748
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774
(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
CID 78797891
N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 75493390
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111131664
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 31111062
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide (CID 31841750) is (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide?
The InChIKey is ZEUXGIYKCGOVPF-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-17-8-6-15(7-9-17)10-11-25(23,24)21-13-16-12-20-22(14-16)18-4-2-1-3-5-18/h1-12,14,21H,13H2/b11-10+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide has a molecular weight of 373.87 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide is sourced from PubChem (CID 31841750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).