N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide

C8H8ClN3O2S2 — CID 91661188

IUPACN-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C8H8ClN3O2S2/c1-16(13,14)12-8-4-5(10-11-8)6-2-3-7(9)15-6/h2-4H,1H3,(H2,10,11,12)
InChIKeyCNZAQXPPIZOVBP-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.16
Rot. Bonds3

About N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide

N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide (PubChem CID 91661188) has the molecular formula C8H8ClN3O2S2 and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide
PubChem CID91661188
Molecular FormulaC8H8ClN3O2S2
Molecular Weight277.76 g/mol
Exact Mass276.97
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C8H8ClN3O2S2/c1-16(13,14)12-8-4-5(10-11-8)6-2-3-7(9)15-6/h2-4H,1H3,(H2,10,11,12)
InChIKeyCNZAQXPPIZOVBP-UHFFFAOYSA-N
XLogP2.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide (CID 91661188) is N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide?
The InChIKey is CNZAQXPPIZOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S2/c1-16(13,14)12-8-4-5(10-11-8)6-2-3-7(9)15-6/h2-4H,1H3,(H2,10,11,12).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide?
N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide has a molecular weight of 277.76 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 91661188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).