4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C12H14ClN3O2S — CID 3306623

IUPAC4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,15H,1-3H3
InChIKeyFARTVUNWNPXBME-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.49
Rot. Bonds3

About 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3306623) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3306623
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,15H,1-3H3
InChIKeyFARTVUNWNPXBME-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-2,6-Dichloro-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)benzenesulfonamide
CID 46188877
N1-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2,4-dichloro-5-methylbenzene-1-sulfonamide
CID 2805504
2,6-dichloro-N-(trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 8933447
4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
CID 2093597
N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 804168
N-(3-chlorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508670
4-Chloro-N-[2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-benzenesulfonamide
CID 6499787
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 7677838
4-chloro-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)benzenesulfonamide
CID 8721869
4-Methyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 1078661
N-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 1090946
4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide
CID 7536005

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3306623) is 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is FARTVUNWNPXBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,15H,1-3H3.
What are the key properties of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3306623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).