N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide

C14H18N2O3S — CID 104981956

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C14H18N2O3S/c1-3-12(9-17)16-20(18,19)13-6-4-5-11-7-10(2)8-15-14(11)13/h4-8,12,16-17H,3,9H2,1-2H3/t12-/m0/s1
InChIKeyJUFSSVYXEXKDAG-LBPRGKRZSA-N
MW294.38 g/mol
LogP1.59
Rot. Bonds5

About N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide

N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide (PubChem CID 104981956) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
PubChem CID104981956
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C14H18N2O3S/c1-3-12(9-17)16-20(18,19)13-6-4-5-11-7-10(2)8-15-14(11)13/h4-8,12,16-17H,3,9H2,1-2H3/t12-/m0/s1
InChIKeyJUFSSVYXEXKDAG-LBPRGKRZSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide (CID 104981956) is N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide is CC[C@@H](CO)NS(=O)(=O)c1cccc2cc(C)cnc12.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide?
The InChIKey is JUFSSVYXEXKDAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-12(9-17)16-20(18,19)13-6-4-5-11-7-10(2)8-15-14(11)13/h4-8,12,16-17H,3,9H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 104981956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).