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

C15H15ClN2O2S — CID 20547448

IUPAC4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CNCC2)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2S/c16-13-2-5-15(6-3-13)21(19,20)18-14-4-1-11-7-8-17-10-12(11)9-14/h1-6,9,17-18H,7-8,10H2
InChIKeyCXVLOROTDQURBY-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.79
Rot. Bonds3

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

4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide (PubChem CID 20547448) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
PubChem CID20547448
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CNCC2)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2S/c16-13-2-5-15(6-3-13)21(19,20)18-14-4-1-11-7-8-17-10-12(11)9-14/h1-6,9,17-18H,7-8,10H2
InChIKeyCXVLOROTDQURBY-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
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-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 58015357
N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606935
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
CID 105361396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide (CID 20547448) is 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)CNCC2)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide?
The InChIKey is CXVLOROTDQURBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-13-2-5-15(6-3-13)21(19,20)18-14-4-1-11-7-8-17-10-12(11)9-14/h1-6,9,17-18H,7-8,10H2.
What are the key properties of 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide?
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 20547448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).