5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide

C9H10ClN3O2S2 — CID 43547463

IUPAC5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClN3O2S2/c1-5-9(6(2)12-11-5)13-17(14,15)8-4-3-7(10)16-8/h3-4,13H,1-2H3,(H,11,12)
InChIKeyXWURMEFZCJZDAM-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.54
Rot. Bonds3

About 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide

5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 43547463) has the molecular formula C9H10ClN3O2S2 and a molecular weight of 291.79 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID43547463
Molecular FormulaC9H10ClN3O2S2
Molecular Weight291.79 g/mol
Exact Mass290.99
IUPAC Name5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClN3O2S2/c1-5-9(6(2)12-11-5)13-17(14,15)8-4-3-7(10)16-8/h3-4,13H,1-2H3,(H,11,12)
InChIKeyXWURMEFZCJZDAM-UHFFFAOYSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide (CID 43547463) is 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is XWURMEFZCJZDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S2/c1-5-9(6(2)12-11-5)13-17(14,15)8-4-3-7(10)16-8/h3-4,13H,1-2H3,(H,11,12).
What are the key properties of 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide?
5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 291.79 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 43547463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).