5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide

C16H23N3O3S — CID 53075753

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)o2)c1C
InChIInChI=1S/C16H23N3O3S/c1-10-4-6-13(7-5-10)19-23(20,21)15-9-8-14(22-15)16-11(2)12(3)17-18-16/h8-10,13,19H,4-7H2,1-3H3,(H,17,18)
InChIKeyNYCZBSFVKIEEJY-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.14
Rot. Bonds4

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

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide (PubChem CID 53075753) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide
PubChem CID53075753
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)o2)c1C
InChIInChI=1S/C16H23N3O3S/c1-10-4-6-13(7-5-10)19-23(20,21)15-9-8-14(22-15)16-11(2)12(3)17-18-16/h8-10,13,19H,4-7H2,1-3H3,(H,17,18)
InChIKeyNYCZBSFVKIEEJY-UHFFFAOYSA-N
XLogP3.14
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide (CID 53075753) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)o2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide?
The InChIKey is NYCZBSFVKIEEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-10-4-6-13(7-5-10)19-23(20,21)15-9-8-14(22-15)16-11(2)12(3)17-18-16/h8-10,13,19H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide is sourced from PubChem (CID 53075753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).