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

C15H15ClN2O2S — CID 63928946

IUPAC2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)NCCC2)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2S/c16-13-5-1-2-6-15(13)21(19,20)18-12-8-7-11-4-3-9-17-14(11)10-12/h1-2,5-8,10,17-18H,3-4,9H2
InChIKeyPCBNATGTTANCMG-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.50
Rot. Bonds3

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

2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide (PubChem CID 63928946) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
PubChem CID63928946
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)NCCC2)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2S/c16-13-5-1-2-6-15(13)21(19,20)18-12-8-7-11-4-3-9-17-14(11)10-12/h1-2,5-8,10,17-18H,3-4,9H2
InChIKeyPCBNATGTTANCMG-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 62632226
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102693598
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
2-methylsulfonyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)ethanesulfonamide
CID 63928943
2-hydroxy-5-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)benzamide
CID 130406117
2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448556
2,6-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604311
2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid
CID 63931455
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chlorobenzenesulfonamide
CID 16943710
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-chlorobenzenesulfonamide
CID 16926448
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide (CID 63928946) is 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)NCCC2)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The InChIKey is PCBNATGTTANCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-13-5-1-2-6-15(13)21(19,20)18-12-8-7-11-4-3-9-17-14(11)10-12/h1-2,5-8,10,17-18H,3-4,9H2.
What are the key properties of 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 63928946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).