N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide

C15H16N2O2S — CID 18177121

IUPACN-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CNc2ccccc2C1)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c18-20(19,14-7-2-1-3-8-14)17-13-10-12-6-4-5-9-15(12)16-11-13/h1-9,13,16-17H,10-11H2
InChIKeyNTCXHUVJNOOXKY-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.00
Rot. Bonds3

About N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide

N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide (PubChem CID 18177121) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
PubChem CID18177121
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CNc2ccccc2C1)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c18-20(19,14-7-2-1-3-8-14)17-13-10-12-6-4-5-9-15(12)16-11-13/h1-9,13,16-17H,10-11H2
InChIKeyNTCXHUVJNOOXKY-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide
CID 66757946
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
N-cyclobutyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105454816
3-(benzenesulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 58241459
N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
CID 66757150
2-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)piperidine-1-sulfonamide
CID 43109899
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine
CID 105491661
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
CID 130638230
N-[dihydroxy(phenyl)-λ4-sulfanyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-amine;molecular hydrogen
CID 142990240
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide (CID 18177121) is N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide is O=S(=O)(NC1CNc2ccccc2C1)c1ccccc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide?
The InChIKey is NTCXHUVJNOOXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-20(19,14-7-2-1-3-8-14)17-13-10-12-6-4-5-9-15(12)16-11-13/h1-9,13,16-17H,10-11H2.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide?
N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 18177121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).