3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

C17H25N3O2S2 — CID 42283972

IUPAC3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cn(C(C)C)nc2C(C)(C)C)c1
InChIInChI=1S/C17H25N3O2S2/c1-12(2)20-11-15(16(18-20)17(3,4)5)24(21,22)19-13-8-7-9-14(10-13)23-6/h7-12,19H,1-6H3
InChIKeyKFNPMPWVHAEUOI-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.28
Rot. Bonds5

About 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42283972) has the molecular formula C17H25N3O2S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42283972
Molecular FormulaC17H25N3O2S2
Molecular Weight367.54 g/mol
Exact Mass367.14
IUPAC Name3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cn(C(C)C)nc2C(C)(C)C)c1
InChIInChI=1S/C17H25N3O2S2/c1-12(2)20-11-15(16(18-20)17(3,4)5)24(21,22)19-13-8-7-9-14(10-13)23-6/h7-12,19H,1-6H3
InChIKeyKFNPMPWVHAEUOI-UHFFFAOYSA-N
XLogP4.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283933
3-tert-butyl-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283900
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60809409
3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42284900
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878
3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 28550882
N-(3-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284905
N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283787
2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
CID 62163890
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283810

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 42283972) is 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is CSc1cccc(NS(=O)(=O)c2cn(C(C)C)nc2C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is KFNPMPWVHAEUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S2/c1-12(2)20-11-15(16(18-20)17(3,4)5)24(21,22)19-13-8-7-9-14(10-13)23-6/h7-12,19H,1-6H3.
What are the key properties of 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 367.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).