N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide

C12H14ClN3O2S — CID 19680642

IUPACN-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C12H14ClN3O2S/c1-9-12(8-14-16(9)2)19(17,18)15-7-10-3-5-11(13)6-4-10/h3-6,8,15H,7H2,1-2H3
InChIKeyQFJHWGNXQYWKET-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.86
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide

N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19680642) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID19680642
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C12H14ClN3O2S/c1-9-12(8-14-16(9)2)19(17,18)15-7-10-3-5-11(13)6-4-10/h3-6,8,15H,7H2,1-2H3
InChIKeyQFJHWGNXQYWKET-UHFFFAOYSA-N
XLogP1.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 95756264
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681770
4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150671
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209589
5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide
CID 167767963
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 19680642) is N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCc2ccc(Cl)cc2)cnn1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is QFJHWGNXQYWKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-9-12(8-14-16(9)2)19(17,18)15-7-10-3-5-11(13)6-4-10/h3-6,8,15H,7H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19680642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).