1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride

C10H8Cl2N2O2S — CID 60912506

IUPAC1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C10H8Cl2N2O2S/c11-9-3-1-8(2-4-9)6-14-7-10(5-13-14)17(12,15)16/h1-5,7H,6H2
InChIKeyCWKFVCNTLNTOCK-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.51
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride

1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride (PubChem CID 60912506) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride
PubChem CID60912506
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C10H8Cl2N2O2S/c11-9-3-1-8(2-4-9)6-14-7-10(5-13-14)17(12,15)16/h1-5,7H,6H2
InChIKeyCWKFVCNTLNTOCK-UHFFFAOYSA-N
XLogP2.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6465101
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CID 6466638
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CID 6467892
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CID 6470599
CID 6470599
CID 43531756
CID 43531756
CID 61029932
CID 61029932
CID 19577768
CID 19577768
CID 22204139
CID 22204139
CID 53597714
CID 53597714
CID 72008350
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CID 137963845
CID 137963845

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride (CID 60912506) is 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride?
The InChIKey is CWKFVCNTLNTOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c11-9-3-1-8(2-4-9)6-14-7-10(5-13-14)17(12,15)16/h1-5,7H,6H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride?
1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride has a molecular weight of 291.16 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 60912506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).