3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide

C14H15ClFN3O2S — CID 141328268

IUPAC3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide
SMILESCN([C@@H]1CCCc2[nH]ncc21)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O2S/c1-19(14-4-2-3-13-10(14)8-17-18-13)22(20,21)9-5-6-12(16)11(15)7-9/h5-8,14H,2-4H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyFYPIRZOZULLMHB-CQSZACIVSA-N
MW343.81 g/mol
LogP2.90
Rot. Bonds3

About 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide

3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide (PubChem CID 141328268) has the molecular formula C14H15ClFN3O2S and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide
PubChem CID141328268
Molecular FormulaC14H15ClFN3O2S
Molecular Weight343.81 g/mol
Exact Mass343.06
IUPAC Name3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide
SMILESCN([C@@H]1CCCc2[nH]ncc21)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O2S/c1-19(14-4-2-3-13-10(14)8-17-18-13)22(20,21)9-5-6-12(16)11(15)7-9/h5-8,14H,2-4H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyFYPIRZOZULLMHB-CQSZACIVSA-N
XLogP2.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide (CID 141328268) is 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide is CN([C@@H]1CCCc2[nH]ncc21)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide?
The InChIKey is FYPIRZOZULLMHB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15ClFN3O2S/c1-19(14-4-2-3-13-10(14)8-17-18-13)22(20,21)9-5-6-12(16)11(15)7-9/h5-8,14H,2-4H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide?
3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 141328268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).