1-methyl-4-phenylpyrazole-5-sulfonyl chloride

C10H9ClN2O2S — CID 15933830

IUPAC1-methyl-4-phenylpyrazole-5-sulfonyl chloride
SMILESCn1ncc(-c2ccccc2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H9ClN2O2S/c1-13-10(16(11,14)15)9(7-12-13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyVFUOGCQSMPDREI-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.01
Rot. Bonds2

About 1-methyl-4-phenylpyrazole-5-sulfonyl chloride

1-methyl-4-phenylpyrazole-5-sulfonyl chloride (PubChem CID 15933830) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-methyl-4-phenylpyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-4-phenylpyrazole-5-sulfonyl chloride
PubChem CID15933830
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name1-methyl-4-phenylpyrazole-5-sulfonyl chloride
SMILESCn1ncc(-c2ccccc2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H9ClN2O2S/c1-13-10(16(11,14)15)9(7-12-13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyVFUOGCQSMPDREI-UHFFFAOYSA-N
XLogP2.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-phenylpyrazole-4-sulfonyl chloride
CID 168798150
1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride
CID 70676954
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole
CID 154717352
3-(1-methyl-4-phenylpyrazol-5-yl)-1-phenylprop-2-yn-1-one
CID 102179259
2-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676420
benzene;benzenesulfonyl chloride
CID 87647314
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole
CID 110664784
1-methyl-4-phenylindazol-6-ol
CID 162529467
4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine
CID 79583813

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylpyrazole-5-sulfonyl chloride?
The IUPAC name of 1-methyl-4-phenylpyrazole-5-sulfonyl chloride (CID 15933830) is 1-methyl-4-phenylpyrazole-5-sulfonyl chloride.
What is the SMILES notation for 1-methyl-4-phenylpyrazole-5-sulfonyl chloride?
The canonical SMILES for 1-methyl-4-phenylpyrazole-5-sulfonyl chloride is Cn1ncc(-c2ccccc2)c1S(=O)(=O)Cl.
What is the InChIKey of 1-methyl-4-phenylpyrazole-5-sulfonyl chloride?
The InChIKey is VFUOGCQSMPDREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-13-10(16(11,14)15)9(7-12-13)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 1-methyl-4-phenylpyrazole-5-sulfonyl chloride?
1-methyl-4-phenylpyrazole-5-sulfonyl chloride has a molecular weight of 256.71 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylpyrazole-5-sulfonyl chloride is sourced from PubChem (CID 15933830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).