N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide

C14H15ClFN3O2S — CID 86980352

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cn1
InChIInChI=1S/C14H15ClFN3O2S/c1-18-8-11(7-17-18)22(20,21)19(10-5-6-10)9-12-13(15)3-2-4-14(12)16/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyZMELDIZTLSFOHY-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.57
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide (PubChem CID 86980352) has the molecular formula C14H15ClFN3O2S and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
PubChem CID86980352
Molecular FormulaC14H15ClFN3O2S
Molecular Weight343.81 g/mol
Exact Mass343.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cn1
InChIInChI=1S/C14H15ClFN3O2S/c1-18-8-11(7-17-18)22(20,21)19(10-5-6-10)9-12-13(15)3-2-4-14(12)16/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyZMELDIZTLSFOHY-UHFFFAOYSA-N
XLogP2.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide (CID 86980352) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cn1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is ZMELDIZTLSFOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2S/c1-18-8-11(7-17-18)22(20,21)19(10-5-6-10)9-12-13(15)3-2-4-14(12)16/h2-4,7-8,10H,5-6,9H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 343.81 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 86980352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).