N,N-di(butan-2-yl)quinoline-8-sulfonamide

C17H24N2O2S — CID 4185398

IUPACN,N-di(butan-2-yl)quinoline-8-sulfonamide
SMILESCCC(C)N(C(C)CC)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H24N2O2S/c1-5-13(3)19(14(4)6-2)22(20,21)16-11-7-9-15-10-8-12-18-17(15)16/h7-14H,5-6H2,1-4H3
InChIKeyCNHPBZQSLYMITJ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.82
Rot. Bonds6

About N,N-di(butan-2-yl)quinoline-8-sulfonamide

N,N-di(butan-2-yl)quinoline-8-sulfonamide (PubChem CID 4185398) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N,N-di(butan-2-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)quinoline-8-sulfonamide
PubChem CID4185398
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN,N-di(butan-2-yl)quinoline-8-sulfonamide
SMILESCCC(C)N(C(C)CC)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H24N2O2S/c1-5-13(3)19(14(4)6-2)22(20,21)16-11-7-9-15-10-8-12-18-17(15)16/h7-14H,5-6H2,1-4H3
InChIKeyCNHPBZQSLYMITJ-UHFFFAOYSA-N
XLogP3.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
CID 56791454
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
8-methylsulfanylsulfonylquinoline
CID 913226
N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
CID 23392955
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
[4-[[[(2S)-butan-2-yl]-quinolin-8-ylsulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 98366170
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
2-[butan-2-yl(quinolin-8-ylsulfonyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4291549
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152
N-butylquinoline-8-sulfonamide
CID 2068304

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)quinoline-8-sulfonamide?
The IUPAC name of N,N-di(butan-2-yl)quinoline-8-sulfonamide (CID 4185398) is N,N-di(butan-2-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N,N-di(butan-2-yl)quinoline-8-sulfonamide?
The canonical SMILES for N,N-di(butan-2-yl)quinoline-8-sulfonamide is CCC(C)N(C(C)CC)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N,N-di(butan-2-yl)quinoline-8-sulfonamide?
The InChIKey is CNHPBZQSLYMITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-5-13(3)19(14(4)6-2)22(20,21)16-11-7-9-15-10-8-12-18-17(15)16/h7-14H,5-6H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)quinoline-8-sulfonamide?
N,N-di(butan-2-yl)quinoline-8-sulfonamide has a molecular weight of 320.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 4185398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).