N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide

C20H24N2O3S — CID 167791556

IUPACN-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(CN2CC(CO)Cc3ccccc32)cc1
InChIInChI=1S/C20H24N2O3S/c23-14-16-11-17-3-1-2-4-20(17)22(13-16)12-15-5-9-19(10-6-15)26(24,25)21-18-7-8-18/h1-6,9-10,16,18,21,23H,7-8,11-14H2
InChIKeyGZQODVXWDFYAGQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.30
Rot. Bonds6

About N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide

N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide (PubChem CID 167791556) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide
PubChem CID167791556
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(CN2CC(CO)Cc3ccccc32)cc1
InChIInChI=1S/C20H24N2O3S/c23-14-16-11-17-3-1-2-4-20(17)22(13-16)12-15-5-9-19(10-6-15)26(24,25)21-18-7-8-18/h1-6,9-10,16,18,21,23H,7-8,11-14H2
InChIKeyGZQODVXWDFYAGQ-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 59778187
N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
CID 59778201
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 31826579
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-cyclopropyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide
CID 1429255
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide (CID 167791556) is N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(CN2CC(CO)Cc3ccccc32)cc1.
What is the InChIKey of N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide?
The InChIKey is GZQODVXWDFYAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-14-16-11-17-3-1-2-4-20(17)22(13-16)12-15-5-9-19(10-6-15)26(24,25)21-18-7-8-18/h1-6,9-10,16,18,21,23H,7-8,11-14H2.
What are the key properties of N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide?
N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 167791556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).