N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C16H18N2O2S — CID 104773721

IUPACN-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H18N2O2S/c1-18(13-7-3-2-4-8-13)21(19,20)16-11-5-10-15-14(16)9-6-12-17-15/h2-5,7-8,10-11,17H,6,9,12H2,1H3
InChIKeyBTOXIXMHNDNAIC-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773721) 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-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773721
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H18N2O2S/c1-18(13-7-3-2-4-8-13)21(19,20)16-11-5-10-15-14(16)9-6-12-17-15/h2-5,7-8,10-11,17H,6,9,12H2,1H3
InChIKeyBTOXIXMHNDNAIC-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773721) is N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is BTOXIXMHNDNAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18(13-7-3-2-4-8-13)21(19,20)16-11-5-10-15-14(16)9-6-12-17-15/h2-5,7-8,10-11,17H,6,9,12H2,1H3.
What are the key properties of N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-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-5-sulfonamide is sourced from PubChem (CID 104773721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).