N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide

C12H14ClN3O2S — CID 22201754

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H14ClN3O2S/c1-2-19(17,18)15-12-7-14-16(9-12)8-10-3-5-11(13)6-4-10/h3-7,9,15H,2,8H2,1H3
InChIKeyCQRRAUUYLODUAA-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide (PubChem CID 22201754) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
PubChem CID22201754
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H14ClN3O2S/c1-2-19(17,18)15-12-7-14-16(9-12)8-10-3-5-11(13)6-4-10/h3-7,9,15H,2,8H2,1H3
InChIKeyCQRRAUUYLODUAA-UHFFFAOYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
CID 83092889
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(2-ethoxyethylsulfonylamino)acetamide
CID 71854121
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
CID 22205086
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22202043
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide
CID 17376266
1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
CID 113227843
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
2-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19407748
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474193

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide (CID 22201754) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The InChIKey is CQRRAUUYLODUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-2-19(17,18)15-12-7-14-16(9-12)8-10-3-5-11(13)6-4-10/h3-7,9,15H,2,8H2,1H3.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 22201754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).