4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride

C15H17Cl2FN2O2S — CID 2969096

IUPAC4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H16ClFN2O2S.ClH/c16-14-2-1-3-15(17)13(14)10-19-9-8-11-4-6-12(7-5-11)22(18,20)21;/h1-7,19H,8-10H2,(H2,18,20,21);1H
InChIKeyUQAIBVYITSYMQE-UHFFFAOYSA-N
MW379.28 g/mol
LogP2.88
Rot. Bonds6

About 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride

4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 2969096) has the molecular formula C15H17Cl2FN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID2969096
Molecular FormulaC15H17Cl2FN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.04
IUPAC Name4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H16ClFN2O2S.ClH/c16-14-2-1-3-15(17)13(14)10-19-9-8-11-4-6-12(7-5-11)22(18,20)21;/h1-7,19H,8-10H2,(H2,18,20,21);1H
InChIKeyUQAIBVYITSYMQE-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
4-[2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 4719664
4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 66531710
N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944255
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609
4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292545
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611732
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292932
4-[2-[(3-nitrophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294132
2-[(2-chlorophenyl)methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108997936

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride (CID 2969096) is 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CCNCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is UQAIBVYITSYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2S.ClH/c16-14-2-1-3-15(17)13(14)10-19-9-8-11-4-6-12(7-5-11)22(18,20)21;/h1-7,19H,8-10H2,(H2,18,20,21);1H.
What are the key properties of 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 379.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 2969096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).