3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide

C17H25N3O2S — CID 42283584

IUPAC3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H25N3O2S/c1-7-20(14-10-8-9-13(2)11-14)23(21,22)15-12-19(6)18-16(15)17(3,4)5/h8-12H,7H2,1-6H3
InChIKeyHNRXATBTTXUKCB-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.24
Rot. Bonds4

About 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide

3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide (PubChem CID 42283584) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
PubChem CID42283584
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H25N3O2S/c1-7-20(14-10-8-9-13(2)11-14)23(21,22)15-12-19(6)18-16(15)17(3,4)5/h8-12H,7H2,1-6H3
InChIKeyHNRXATBTTXUKCB-UHFFFAOYSA-N
XLogP3.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485793
5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 61076203
3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 54922418
3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42283422
N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 3672777
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292528
4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3480168
5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485815
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695184
4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
CID 5180970
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide (CID 42283584) is 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The InChIKey is HNRXATBTTXUKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-7-20(14-10-8-9-13(2)11-14)23(21,22)15-12-19(6)18-16(15)17(3,4)5/h8-12H,7H2,1-6H3.
What are the key properties of 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42283584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).