N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide

C12H10N4O2S2 — CID 102691960

IUPACN-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nccs2)c1)c1ccn[nH]1
InChIInChI=1S/C12H10N4O2S2/c17-20(18,11-4-5-14-15-11)16-10-3-1-2-9(8-10)12-13-6-7-19-12/h1-8,16H,(H,14,15)
InChIKeyOFAMIGRTZNCSIJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.33
Rot. Bonds4

About N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide

N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691960) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691960
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC NameN-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nccs2)c1)c1ccn[nH]1
InChIInChI=1S/C12H10N4O2S2/c17-20(18,11-4-5-14-15-11)16-10-3-1-2-9(8-10)12-13-6-7-19-12/h1-8,16H,(H,14,15)
InChIKeyOFAMIGRTZNCSIJ-UHFFFAOYSA-N
XLogP2.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide (CID 102691960) is N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1cccc(-c2nccs2)c1)c1ccn[nH]1.
What is the InChIKey of N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is OFAMIGRTZNCSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c17-20(18,11-4-5-14-15-11)16-10-3-1-2-9(8-10)12-13-6-7-19-12/h1-8,16H,(H,14,15).
What are the key properties of N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide?
N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 306.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).