3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide

C14H15ClFN3O3S — CID 71808517

IUPAC3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2c1CCOC2
InChIInChI=1S/C14H15ClFN3O3S/c1-19-14-4-5-22-8-10(14)13(18-19)7-17-23(20,21)9-2-3-12(16)11(15)6-9/h2-3,6,17H,4-5,7-8H2,1H3
InChIKeyCRXZSWYWXZBLRH-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.76
Rot. Bonds4

About 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 71808517) has the molecular formula C14H15ClFN3O3S and a molecular weight of 359.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID71808517
Molecular FormulaC14H15ClFN3O3S
Molecular Weight359.81 g/mol
Exact Mass359.05
IUPAC Name3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2c1CCOC2
InChIInChI=1S/C14H15ClFN3O3S/c1-19-14-4-5-22-8-10(14)13(18-19)7-17-23(20,21)9-2-3-12(16)11(15)6-9/h2-3,6,17H,4-5,7-8H2,1H3
InChIKeyCRXZSWYWXZBLRH-UHFFFAOYSA-N
XLogP1.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide (CID 71808517) is 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide is Cn1nc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2c1CCOC2.
What is the InChIKey of 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is CRXZSWYWXZBLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3S/c1-19-14-4-5-22-8-10(14)13(18-19)7-17-23(20,21)9-2-3-12(16)11(15)6-9/h2-3,6,17H,4-5,7-8H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 359.81 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71808517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).