5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C13H16ClN3O3S — CID 3794825

IUPAC5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C13H16ClN3O3S/c1-8-13(9(2)17(3)15-8)16-21(18,19)12-7-10(14)5-6-11(12)20-4/h5-7,16H,1-4H3
InChIKeyADOHBOQZKDNTIF-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.50
Rot. Bonds4

About 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3794825) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3794825
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C13H16ClN3O3S/c1-8-13(9(2)17(3)15-8)16-21(18,19)12-7-10(14)5-6-11(12)20-4/h5-7,16H,1-4H3
InChIKeyADOHBOQZKDNTIF-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

2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 22203631
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
CID 70601990
CID 70601990
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
N-[2-methoxy-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 7536008
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3794825) is 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is ADOHBOQZKDNTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-8-13(9(2)17(3)15-8)16-21(18,19)12-7-10(14)5-6-11(12)20-4/h5-7,16H,1-4H3.
What are the key properties of 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide 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 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3794825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).