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

C14H19N3O3S2 — CID 75441833

IUPAC4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)sc1C
InChIInChI=1S/C14H19N3O3S2/c1-9-7-14(21-10(9)2)22(18,19)17-13-8-12(15-16-13)11-3-5-20-6-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyHKKHRLAQUHRCJB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.78
Rot. Bonds4

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

4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 75441833) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID75441833
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)sc1C
InChIInChI=1S/C14H19N3O3S2/c1-9-7-14(21-10(9)2)22(18,19)17-13-8-12(15-16-13)11-3-5-20-6-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyHKKHRLAQUHRCJB-UHFFFAOYSA-N
XLogP2.78
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 75441833) is 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is HKKHRLAQUHRCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-9-7-14(21-10(9)2)22(18,19)17-13-8-12(15-16-13)11-3-5-20-6-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 75441833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).