N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide

C24H27N3O2S — CID 71050435

IUPACN-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(CNC2CCCc3cccnc32)cc1
InChIInChI=1S/C24H27N3O2S/c1-27(18-20-7-3-2-4-8-20)30(28,29)22-14-12-19(13-15-22)17-26-23-11-5-9-21-10-6-16-25-24(21)23/h2-4,6-8,10,12-16,23,26H,5,9,11,17-18H2,1H3
InChIKeyHTVNBHJJQBMMKZ-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.07
Rot. Bonds7

About N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide

N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide (PubChem CID 71050435) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
PubChem CID71050435
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(CNC2CCCc3cccnc32)cc1
InChIInChI=1S/C24H27N3O2S/c1-27(18-20-7-3-2-4-8-20)30(28,29)22-14-12-19(13-15-22)17-26-23-11-5-9-21-10-6-16-25-24(21)23/h2-4,6-8,10,12-16,23,26H,5,9,11,17-18H2,1H3
InChIKeyHTVNBHJJQBMMKZ-UHFFFAOYSA-N
XLogP4.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide with MolForge

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Related Compounds

1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
iso-H 7
CID 1352
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline
CID 449240
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
4-pentyl-N-{2-[2-(quinolin-3-yl)-1H-indol-3-yl]ethyl}benzene-1-sulfonamide
CID 24825410
4-phenyl-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide
CID 9889681
4-tert-butyl-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide
CID 9954121

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide (CID 71050435) is N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(CNC2CCCc3cccnc32)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The InChIKey is HTVNBHJJQBMMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-27(18-20-7-3-2-4-8-20)30(28,29)22-14-12-19(13-15-22)17-26-23-11-5-9-21-10-6-16-25-24(21)23/h2-4,6-8,10,12-16,23,26H,5,9,11,17-18H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide has a molecular weight of 421.57 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 71050435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).