N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide

C17H19FN2O3S — CID 11537594

IUPACN-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(COCC2CC2)n1
InChIInChI=1S/C17H19FN2O3S/c1-12-5-8-14(18)9-16(12)24(21,22)20-17-4-2-3-15(19-17)11-23-10-13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,19,20)
InChIKeyHZGYREXXVNBGAP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.26
Rot. Bonds7

About N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide

N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 11537594) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID11537594
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(COCC2CC2)n1
InChIInChI=1S/C17H19FN2O3S/c1-12-5-8-14(18)9-16(12)24(21,22)20-17-4-2-3-15(19-17)11-23-10-13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,19,20)
InChIKeyHZGYREXXVNBGAP-UHFFFAOYSA-N
XLogP3.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide (CID 11537594) is N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(COCC2CC2)n1.
What is the InChIKey of N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is HZGYREXXVNBGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-5-8-14(18)9-16(12)24(21,22)20-17-4-2-3-15(19-17)11-23-10-13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 350.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 11537594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).