N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide

C16H18N2O2S — CID 164550194

IUPACN-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2CCc3ccccc3N2)cc1
InChIInChI=1S/C16H18N2O2S/c1-21(19,20)18-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17-16/h2-7,9-10,16-18H,8,11H2,1H3
InChIKeyOQDJHTHFBGSVRV-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.16
Rot. Bonds3

About N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide

N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide (PubChem CID 164550194) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide
PubChem CID164550194
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2CCc3ccccc3N2)cc1
InChIInChI=1S/C16H18N2O2S/c1-21(19,20)18-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17-16/h2-7,9-10,16-18H,8,11H2,1H3
InChIKeyOQDJHTHFBGSVRV-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide (CID 164550194) is N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2CCc3ccccc3N2)cc1.
What is the InChIKey of N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide?
The InChIKey is OQDJHTHFBGSVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-21(19,20)18-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17-16/h2-7,9-10,16-18H,8,11H2,1H3.
What are the key properties of N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide?
N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 164550194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).