N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide

C15H18FN3O3S — CID 99832215

IUPACN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1F
InChIInChI=1S/C15H18FN3O3S/c1-10(11-3-4-11)19-15(7-8-17-19)18-23(20,21)12-5-6-13(16)14(9-12)22-2/h5-11,18H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyPCDKUGQEEBXZCV-JTQLQIEISA-N
MW339.39 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide

N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 99832215) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID99832215
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1F
InChIInChI=1S/C15H18FN3O3S/c1-10(11-3-4-11)19-15(7-8-17-19)18-23(20,21)12-5-6-13(16)14(9-12)22-2/h5-11,18H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyPCDKUGQEEBXZCV-JTQLQIEISA-N
XLogP2.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide (CID 99832215) is N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1F.
What is the InChIKey of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is PCDKUGQEEBXZCV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-10(11-3-4-11)19-15(7-8-17-19)18-23(20,21)12-5-6-13(16)14(9-12)22-2/h5-11,18H,3-4H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide?
N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 99832215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).