3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide

C15H15ClN2O2S — CID 80547847

IUPAC3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCNC2)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2S/c16-12-4-2-5-13(9-12)21(19,20)18-15-6-1-3-11-10-17-8-7-14(11)15/h1-6,9,17-18H,7-8,10H2
InChIKeyFRVREHVZBMAVBK-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.79
Rot. Bonds3

About 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide

3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide (PubChem CID 80547847) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
PubChem CID80547847
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCNC2)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2S/c16-12-4-2-5-13(9-12)21(19,20)18-15-6-1-3-11-10-17-8-7-14(11)15/h1-6,9,17-18H,7-8,10H2
InChIKeyFRVREHVZBMAVBK-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

3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 43808517
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 21271748
5-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959084
N-[2-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)phenyl]benzenesulfonamide
CID 70880021
4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride
CID 67985273
1-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 82842529
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide
CID 80547490
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide (CID 80547847) is 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide is O=S(=O)(Nc1cccc2c1CCNC2)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide?
The InChIKey is FRVREHVZBMAVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-12-4-2-5-13(9-12)21(19,20)18-15-6-1-3-11-10-17-8-7-14(11)15/h1-6,9,17-18H,7-8,10H2.
What are the key properties of 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide?
3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-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 3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide is sourced from PubChem (CID 80547847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).