N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide

C16H18N2O2S — CID 115650497

IUPACN-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C16H18N2O2S/c1-4-7-13(5-2)18-21(19,20)15-10-9-12(3)16-14(15)8-6-11-17-16/h1,6,8-11,13,18H,5,7H2,2-3H3
InChIKeyVWHYPGDOCANAHS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.62
Rot. Bonds5

About N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide

N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide (PubChem CID 115650497) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide
PubChem CID115650497
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C16H18N2O2S/c1-4-7-13(5-2)18-21(19,20)15-10-9-12(3)16-14(15)8-6-11-17-16/h1,6,8-11,13,18H,5,7H2,2-3H3
InChIKeyVWHYPGDOCANAHS-UHFFFAOYSA-N
XLogP2.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542
(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 103862690
N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide
CID 106181485
N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide
CID 115650518
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685
N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
CID 120585095
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
2-bromo-N-hex-5-yn-3-yl-4-methylbenzenesulfonamide
CID 115650520
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide (CID 115650497) is N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide is C#CCC(CC)NS(=O)(=O)c1ccc(C)c2ncccc12.
What is the InChIKey of N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide?
The InChIKey is VWHYPGDOCANAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-4-7-13(5-2)18-21(19,20)15-10-9-12(3)16-14(15)8-6-11-17-16/h1,6,8-11,13,18H,5,7H2,2-3H3.
What are the key properties of N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide?
N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 115650497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).