N-benzyl-3-methylquinoline-8-sulfonamide

C17H16N2O2S — CID 33345852

IUPACN-benzyl-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCc3ccccc3)cccc2c1
InChIInChI=1S/C17H16N2O2S/c1-13-10-15-8-5-9-16(17(15)18-11-13)22(20,21)19-12-14-6-3-2-4-7-14/h2-11,19H,12H2,1H3
InChIKeyDBLDRVYPNKITIP-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.02
Rot. Bonds4

About N-benzyl-3-methylquinoline-8-sulfonamide

N-benzyl-3-methylquinoline-8-sulfonamide (PubChem CID 33345852) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-benzyl-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methylquinoline-8-sulfonamide
PubChem CID33345852
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-benzyl-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCc3ccccc3)cccc2c1
InChIInChI=1S/C17H16N2O2S/c1-13-10-15-8-5-9-16(17(15)18-11-13)22(20,21)19-12-14-6-3-2-4-7-14/h2-11,19H,12H2,1H3
InChIKeyDBLDRVYPNKITIP-UHFFFAOYSA-N
XLogP3.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
CID 55816008
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890
3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
CID 55873879
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
CID 113236576
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-benzyl-3-methylquinoline-8-sulfonamide (CID 33345852) is N-benzyl-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-benzyl-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-benzyl-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCc3ccccc3)cccc2c1.
What is the InChIKey of N-benzyl-3-methylquinoline-8-sulfonamide?
The InChIKey is DBLDRVYPNKITIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-13-10-15-8-5-9-16(17(15)18-11-13)22(20,21)19-12-14-6-3-2-4-7-14/h2-11,19H,12H2,1H3.
What are the key properties of N-benzyl-3-methylquinoline-8-sulfonamide?
N-benzyl-3-methylquinoline-8-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 33345852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).