N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide

C13H17N3O3S — CID 43547799

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C13H17N3O3S/c1-8-13(9(2)15-14-8)16-20(18,19)12-6-4-11(5-7-12)10(3)17/h4-7,10,16-17H,1-3H3,(H,14,15)
InChIKeyXQTZBRKRHBKEJM-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.88
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 43547799) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID43547799
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C13H17N3O3S/c1-8-13(9(2)15-14-8)16-20(18,19)12-6-4-11(5-7-12)10(3)17/h4-7,10,16-17H,1-3H3,(H,14,15)
InChIKeyXQTZBRKRHBKEJM-UHFFFAOYSA-N
XLogP1.88
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 25046851
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 61466424
4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115750953
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 82844313
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
4-(1-hydroxyethyl)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240556
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43547071

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide (CID 43547799) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(C)O)cc1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is XQTZBRKRHBKEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-13(9(2)15-14-8)16-20(18,19)12-6-4-11(5-7-12)10(3)17/h4-7,10,16-17H,1-3H3,(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43547799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).