N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

C22H18FN3O3S — CID 23217928

IUPACN-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CC1
InChIInChI=1S/C22H18FN3O3S/c23-18-10-8-16(9-11-18)21-20(26-30(27,28)19-4-2-1-3-5-19)12-17(13-24)22(25-21)29-14-15-6-7-15/h1-5,8-12,15,26H,6-7,14H2
InChIKeyYGBVUTJVMALEST-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.35
Rot. Bonds7

About N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 23217928) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID23217928
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC NameN-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CC1
InChIInChI=1S/C22H18FN3O3S/c23-18-10-8-16(9-11-18)21-20(26-30(27,28)19-4-2-1-3-5-19)12-17(13-24)22(25-21)29-14-15-6-7-15/h1-5,8-12,15,26H,6-7,14H2
InChIKeyYGBVUTJVMALEST-UHFFFAOYSA-N
XLogP4.35
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (CID 23217928) is N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CC1.
What is the InChIKey of N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is YGBVUTJVMALEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c23-18-10-8-16(9-11-18)21-20(26-30(27,28)19-4-2-1-3-5-19)12-17(13-24)22(25-21)29-14-15-6-7-15/h1-5,8-12,15,26H,6-7,14H2.
What are the key properties of N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 423.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23217928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).