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

C13H14ClN3O2S — CID 91942582

IUPAC2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
SMILESCn1cc(CNS(=O)(=O)C=Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H14ClN3O2S/c1-17-10-12(8-15-17)9-16-20(18,19)7-6-11-2-4-13(14)5-3-11/h2-8,10,16H,9H2,1H3
InChIKeyABSUFZJJZCQOSL-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.16
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide (PubChem CID 91942582) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
PubChem CID91942582
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
SMILESCn1cc(CNS(=O)(=O)C=Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H14ClN3O2S/c1-17-10-12(8-15-17)9-16-20(18,19)7-6-11-2-4-13(14)5-3-11/h2-8,10,16H,9H2,1H3
InChIKeyABSUFZJJZCQOSL-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
CID 31841750
[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191409
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
(E)-2-(4-chlorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethenesulfonamide
CID 55914931
2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide
CID 76924210
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
CID 78797891
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide (CID 91942582) is 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide is Cn1cc(CNS(=O)(=O)C=Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide?
The InChIKey is ABSUFZJJZCQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-17-10-12(8-15-17)9-16-20(18,19)7-6-11-2-4-13(14)5-3-11/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide?
2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide is sourced from PubChem (CID 91942582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).