N-but-3-ynyl-2-methylquinoline-8-sulfonamide

C14H14N2O2S — CID 90537994

IUPACN-but-3-ynyl-2-methylquinoline-8-sulfonamide
SMILESC#CCCNS(=O)(=O)c1cccc2ccc(C)nc12
InChIInChI=1S/C14H14N2O2S/c1-3-4-10-15-19(17,18)13-7-5-6-12-9-8-11(2)16-14(12)13/h1,5-9,15H,4,10H2,2H3
InChIKeyIEJBBBPNPRJUQJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.84
Rot. Bonds4

About N-but-3-ynyl-2-methylquinoline-8-sulfonamide

N-but-3-ynyl-2-methylquinoline-8-sulfonamide (PubChem CID 90537994) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-but-3-ynyl-2-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-methylquinoline-8-sulfonamide
PubChem CID90537994
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-but-3-ynyl-2-methylquinoline-8-sulfonamide
SMILESC#CCCNS(=O)(=O)c1cccc2ccc(C)nc12
InChIInChI=1S/C14H14N2O2S/c1-3-4-10-15-19(17,18)13-7-5-6-12-9-8-11(2)16-14(12)13/h1,5-9,15H,4,10H2,2H3
InChIKeyIEJBBBPNPRJUQJ-UHFFFAOYSA-N
XLogP1.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
CID 121122988
3-methyl-2-[[(2-methylquinolin-8-yl)sulfonylamino]methyl]butanoic acid
CID 136533052
N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide
CID 97244895
N,N-dimethyl-4-[3-[(2-methylquinolin-8-yl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553583
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide
CID 90635489
N-butylquinoline-8-sulfonamide
CID 2068304
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
N-hex-5-ynylisoquinoline-5-sulfonamide
CID 103756893
N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-methylquinoline-8-sulfonamide?
The IUPAC name of N-but-3-ynyl-2-methylquinoline-8-sulfonamide (CID 90537994) is N-but-3-ynyl-2-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-but-3-ynyl-2-methylquinoline-8-sulfonamide?
The canonical SMILES for N-but-3-ynyl-2-methylquinoline-8-sulfonamide is C#CCCNS(=O)(=O)c1cccc2ccc(C)nc12.
What is the InChIKey of N-but-3-ynyl-2-methylquinoline-8-sulfonamide?
The InChIKey is IEJBBBPNPRJUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-4-10-15-19(17,18)13-7-5-6-12-9-8-11(2)16-14(12)13/h1,5-9,15H,4,10H2,2H3.
What are the key properties of N-but-3-ynyl-2-methylquinoline-8-sulfonamide?
N-but-3-ynyl-2-methylquinoline-8-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-methylquinoline-8-sulfonamide is sourced from PubChem (CID 90537994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).