N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C12H17N3O2S2 — CID 20947418

IUPACN-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)n[nH]1
InChIInChI=1S/C12H17N3O2S2/c1-8-7-9(14-13-8)10-5-6-11(18-10)19(16,17)15-12(2,3)4/h5-7,15H,1-4H3,(H,13,14)
InChIKeyVUGVPUMPDBHXAX-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.52
Rot. Bonds3

About N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 20947418) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID20947418
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)n[nH]1
InChIInChI=1S/C12H17N3O2S2/c1-8-7-9(14-13-8)10-5-6-11(18-10)19(16,17)15-12(2,3)4/h5-7,15H,1-4H3,(H,13,14)
InChIKeyVUGVPUMPDBHXAX-UHFFFAOYSA-N
XLogP2.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-(2-thienyl)-1h-pyrazole
CID 737750
N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396399
5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 20947471
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947497
N-(4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947432
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 20947501
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
CID 20947530
3,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 43242570
5-Butyl-3-(2'-thienyl)pyrazole
CID 18188286
5-Pentyl-3-(2'-thienyl)pyrazole
CID 18188288
N-(2,4-difluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947422

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 20947418) is N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)n[nH]1.
What is the InChIKey of N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is VUGVPUMPDBHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-8-7-9(14-13-8)10-5-6-11(18-10)19(16,17)15-12(2,3)4/h5-7,15H,1-4H3,(H,13,14).
What are the key properties of N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).