N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide

C9H10ClN3O2S2 — CID 47363929

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClN3O2S2/c1-6(8-2-3-9(10)16-8)13-17(14,15)7-4-11-12-5-7/h2-6,13H,1H3,(H,11,12)
InChIKeyQCSZPOQNNXBLDP-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.16
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47363929) has the molecular formula C9H10ClN3O2S2 and a molecular weight of 291.79 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID47363929
Molecular FormulaC9H10ClN3O2S2
Molecular Weight291.79 g/mol
Exact Mass290.99
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClN3O2S2/c1-6(8-2-3-9(10)16-8)13-17(14,15)7-4-11-12-5-7/h2-6,13H,1H3,(H,11,12)
InChIKeyQCSZPOQNNXBLDP-UHFFFAOYSA-N
XLogP2.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
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-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 47363929) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QCSZPOQNNXBLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S2/c1-6(8-2-3-9(10)16-8)13-17(14,15)7-4-11-12-5-7/h2-6,13H,1H3,(H,11,12).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 291.79 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47363929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).