4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide

C19H24N2O2S — CID 11163741

IUPAC4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-3-4-15-5-9-19(10-6-15)24(22,23)21-18-8-7-16-11-12-20-14-17(16)13-18/h5-10,13,20-21H,2-4,11-12,14H2,1H3
InChIKeyCDLTZBNPLAYVJT-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.48
Rot. Bonds6

About 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide

4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide (PubChem CID 11163741) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
PubChem CID11163741
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-3-4-15-5-9-19(10-6-15)24(22,23)21-18-8-7-16-11-12-20-14-17(16)13-18/h5-10,13,20-21H,2-4,11-12,14H2,1H3
InChIKeyCDLTZBNPLAYVJT-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
CID 10126239
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline
CID 63899504
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
4-butyl-N-[3-(thiophen-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
CID 46882350
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide (CID 11163741) is 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1.
What is the InChIKey of 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide?
The InChIKey is CDLTZBNPLAYVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-3-4-15-5-9-19(10-6-15)24(22,23)21-18-8-7-16-11-12-20-14-17(16)13-18/h5-10,13,20-21H,2-4,11-12,14H2,1H3.
What are the key properties of 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide?
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 11163741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).