(2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

C17H17F3N2O4S — CID 55938403

IUPAC(2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F3N2O4S/c1-10(22-27(25,26)16-5-3-2-4-13(16)19)17(24)21-9-15(23)11-6-7-12(18)14(20)8-11/h2-8,10,15,22-23H,9H2,1H3,(H,21,24)/t10-,15?/m0/s1
InChIKeyUHCFANXEPBASLE-MYHCZTBNSA-N
MW402.39 g/mol
LogP1.62
Rot. Bonds7

About (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

(2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 55938403) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
PubChem CID55938403
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name(2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F3N2O4S/c1-10(22-27(25,26)16-5-3-2-4-13(16)19)17(24)21-9-15(23)11-6-7-12(18)14(20)8-11/h2-8,10,15,22-23H,9H2,1H3,(H,21,24)/t10-,15?/m0/s1
InChIKeyUHCFANXEPBASLE-MYHCZTBNSA-N
XLogP1.62
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (CID 55938403) is (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is UHCFANXEPBASLE-MYHCZTBNSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-10(22-27(25,26)16-5-3-2-4-13(16)19)17(24)21-9-15(23)11-6-7-12(18)14(20)8-11/h2-8,10,15,22-23H,9H2,1H3,(H,21,24)/t10-,15?/m0/s1.
What are the key properties of (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 402.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55938403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).