N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C16H18N2O2S — CID 22692420

IUPACN-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H18N2O2S/c1-18(14-7-3-2-4-8-14)21(19,20)15-9-10-16-13(12-15)6-5-11-17-16/h2-4,7-10,12,17H,5-6,11H2,1H3
InChIKeyJBGPFFZNSAOHNO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 22692420) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID22692420
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H18N2O2S/c1-18(14-7-3-2-4-8-14)21(19,20)15-9-10-16-13(12-15)6-5-11-17-16/h2-4,7-10,12,17H,5-6,11H2,1H3
InChIKeyJBGPFFZNSAOHNO-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 54884366
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62856404
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773721
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274848
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61452430
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 107200792
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274009
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N-cyclopentyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43267403
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 64518866

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 22692420) is N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is JBGPFFZNSAOHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18(14-7-3-2-4-8-14)21(19,20)15-9-10-16-13(12-15)6-5-11-17-16/h2-4,7-10,12,17H,5-6,11H2,1H3.
What are the key properties of N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 22692420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).