4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide

C16H18N2O2S — CID 21222073

IUPAC4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNC3)cc1
InChIInChI=1S/C16H18N2O2S/c1-12-2-6-16(7-3-12)21(19,20)18-15-5-4-14-11-17-9-8-13(14)10-15/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyMMXAACGMQZTUSD-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.44
Rot. Bonds3

About 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide

4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide (PubChem CID 21222073) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
PubChem CID21222073
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNC3)cc1
InChIInChI=1S/C16H18N2O2S/c1-12-2-6-16(7-3-12)21(19,20)18-15-5-4-14-11-17-9-8-13(14)10-15/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyMMXAACGMQZTUSD-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 58015357
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide
CID 169372782
N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide
CID 140564681

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide (CID 21222073) is 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNC3)cc1.
What is the InChIKey of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide?
The InChIKey is MMXAACGMQZTUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-2-6-16(7-3-12)21(19,20)18-15-5-4-14-11-17-9-8-13(14)10-15/h2-7,10,17-18H,8-9,11H2,1H3.
What are the key properties of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide?
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 21222073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).