N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C13H16ClN3O2S — CID 8822446

IUPACN-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H16ClN3O2S/c1-8-7-11(14)5-6-12(8)16-20(18,19)13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3
InChIKeyTZJNDNKOFRJZCI-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.80
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8822446) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8822446
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H16ClN3O2S/c1-8-7-11(14)5-6-12(8)16-20(18,19)13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3
InChIKeyTZJNDNKOFRJZCI-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062450
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823497
N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 114051879
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823097
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22201802
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8822446) is N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is TZJNDNKOFRJZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-8-7-11(14)5-6-12(8)16-20(18,19)13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8822446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).