N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide

C18H18N2O2S — CID 4093866

IUPACN-(4-propan-2-ylphenyl)quinoline-8-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C18H18N2O2S/c1-13(2)14-8-10-16(11-9-14)20-23(21,22)17-7-3-5-15-6-4-12-19-18(15)17/h3-13,20H,1-2H3
InChIKeyGFZZAMYYHKRNKN-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.16
Rot. Bonds4

About N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide

N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide (PubChem CID 4093866) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)quinoline-8-sulfonamide
PubChem CID4093866
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(4-propan-2-ylphenyl)quinoline-8-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C18H18N2O2S/c1-13(2)14-8-10-16(11-9-14)20-23(21,22)17-7-3-5-15-6-4-12-19-18(15)17/h3-13,20H,1-2H3
InChIKeyGFZZAMYYHKRNKN-UHFFFAOYSA-N
XLogP4.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(p-Toluenesulfonylamino)quinoline
CID 82533
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-Quinolinesulfonamide
CID 94464
8-Quinolinesulfonic acid
CID 66561
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
N-[5-(pyridin-3-yl)quinolin-8-yl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 118873492
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
1-(p-Toluenesulfonyl)tryptamine
CID 14571158

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide (CID 4093866) is N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide?
The InChIKey is GFZZAMYYHKRNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13(2)14-8-10-16(11-9-14)20-23(21,22)17-7-3-5-15-6-4-12-19-18(15)17/h3-13,20H,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide?
N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 4093866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).