N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide

C15H18N4O3S — CID 126833875

IUPACN-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1nn(C)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1C#N
InChIInChI=1S/C15H18N4O3S/c1-10(2)22-12-5-7-13(8-6-12)23(20,21)18-15-14(9-16)11(3)17-19(15)4/h5-8,10,18H,1-4H3
InChIKeyNOQVYPUYYRRQTA-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.19
Rot. Bonds5

About N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide

N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 126833875) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID126833875
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1nn(C)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1C#N
InChIInChI=1S/C15H18N4O3S/c1-10(2)22-12-5-7-13(8-6-12)23(20,21)18-15-14(9-16)11(3)17-19(15)4/h5-8,10,18H,1-4H3
InChIKeyNOQVYPUYYRRQTA-UHFFFAOYSA-N
XLogP2.19
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126828292
5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 66197582
1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
CID 138999045
4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
CID 110716379
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126796741
4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823114
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
1,3-dimethyl-5-(2-methylsulfonylethylamino)pyrazole-4-carbonitrile
CID 63758017
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
5-[2-(4-aminophenoxy)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757521

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide (CID 126833875) is N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide is Cc1nn(C)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1C#N.
What is the InChIKey of N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is NOQVYPUYYRRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10(2)22-12-5-7-13(8-6-12)23(20,21)18-15-14(9-16)11(3)17-19(15)4/h5-8,10,18H,1-4H3.
What are the key properties of N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide?
N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 126833875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).