5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide

C14H15ClFN3O2S — CID 16674140

IUPAC5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H15ClFN3O2S/c1-9-12(13(15)19(2)17-9)22(20,21)18-14(7-8-14)10-3-5-11(16)6-4-10/h3-6,18H,7-8H2,1-2H3
InChIKeyXUGNVXOHLKTVKR-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.49
Rot. Bonds4

About 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 16674140) has the molecular formula C14H15ClFN3O2S and a molecular weight of 343.81 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID16674140
Molecular FormulaC14H15ClFN3O2S
Molecular Weight343.81 g/mol
Exact Mass343.06
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H15ClFN3O2S/c1-9-12(13(15)19(2)17-9)22(20,21)18-14(7-8-14)10-3-5-11(16)6-4-10/h3-6,18H,7-8H2,1-2H3
InChIKeyXUGNVXOHLKTVKR-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 16674140) is 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is XUGNVXOHLKTVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2S/c1-9-12(13(15)19(2)17-9)22(20,21)18-14(7-8-14)10-3-5-11(16)6-4-10/h3-6,18H,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 343.81 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16674140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).