N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide

C13H16ClN3O3S — CID 146124559

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)cnn1C
InChIInChI=1S/C13H16ClN3O3S/c1-8-5-11(12(20-4)6-10(8)14)16-21(18,19)13-9(2)7-15-17(13)3/h5-7,16H,1-4H3
InChIKeyKZDAPIQTOMXTFP-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.50
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide

N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide (PubChem CID 146124559) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
PubChem CID146124559
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)cnn1C
InChIInChI=1S/C13H16ClN3O3S/c1-8-5-11(12(20-4)6-10(8)14)16-21(18,19)13-9(2)7-15-17(13)3/h5-7,16H,1-4H3
InChIKeyKZDAPIQTOMXTFP-UHFFFAOYSA-N
XLogP2.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427486
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998350
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
5-(aminomethyl)-N-(4-chloro-2-methoxy-5-methylphenyl)furan-2-sulfonamide
CID 106056911
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 8523503
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide (CID 146124559) is N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)cnn1C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide?
The InChIKey is KZDAPIQTOMXTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-8-5-11(12(20-4)6-10(8)14)16-21(18,19)13-9(2)7-15-17(13)3/h5-7,16H,1-4H3.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide is sourced from PubChem (CID 146124559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).