N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide

C17H18N2O4S — CID 97069680

IUPACN-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC[C@](C)(O)c3ccco3)cccc2c1
InChIInChI=1S/C17H18N2O4S/c1-12-9-13-5-3-6-14(16(13)18-10-12)24(21,22)19-11-17(2,20)15-7-4-8-23-15/h3-10,19-20H,11H2,1-2H3/t17-/m0/s1
InChIKeyNNHQUACHWVTKQI-KRWDZBQOSA-N
MW346.41 g/mol
LogP2.32
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide

N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide (PubChem CID 97069680) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide
PubChem CID97069680
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC[C@](C)(O)c3ccco3)cccc2c1
InChIInChI=1S/C17H18N2O4S/c1-12-9-13-5-3-6-14(16(13)18-10-12)24(21,22)19-11-17(2,20)15-7-4-8-23-15/h3-10,19-20H,11H2,1-2H3/t17-/m0/s1
InChIKeyNNHQUACHWVTKQI-KRWDZBQOSA-N
XLogP2.32
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide (CID 97069680) is N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NC[C@](C)(O)c3ccco3)cccc2c1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide?
The InChIKey is NNHQUACHWVTKQI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12-9-13-5-3-6-14(16(13)18-10-12)24(21,22)19-11-17(2,20)15-7-4-8-23-15/h3-10,19-20H,11H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide?
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 97069680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).