5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide

C14H19N3O3S2 — CID 90622425

IUPAC5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)s1
InChIInChI=1S/C14H19N3O3S2/c1-11-2-3-14(21-11)22(18,19)16-13-8-15-17(10-13)9-12-4-6-20-7-5-12/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKeyDBTPCBSYJKPPDK-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.48
Rot. Bonds5

About 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide

5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 90622425) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID90622425
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)s1
InChIInChI=1S/C14H19N3O3S2/c1-11-2-3-14(21-11)22(18,19)16-13-8-15-17(10-13)9-12-4-6-20-7-5-12/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKeyDBTPCBSYJKPPDK-UHFFFAOYSA-N
XLogP2.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide (CID 90622425) is 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)s1.
What is the InChIKey of 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is DBTPCBSYJKPPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-11-2-3-14(21-11)22(18,19)16-13-8-15-17(10-13)9-12-4-6-20-7-5-12/h2-3,8,10,12,16H,4-7,9H2,1H3.
What are the key properties of 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 90622425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).