4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

C11H17Cl2FN2O2S — CID 120716073

IUPAC4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C11H16ClFN2O2S.ClH/c1-2-5-14-6-7-15-18(16,17)11-4-3-9(12)8-10(11)13;/h3-4,8,14-15H,2,5-7H2,1H3;1H
InChIKeyJCGBSBQEJPNBRZ-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.18
Rot. Bonds7

About 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120716073) has the molecular formula C11H17Cl2FN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120716073
Molecular FormulaC11H17Cl2FN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.04
IUPAC Name4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C11H16ClFN2O2S.ClH/c1-2-5-14-6-7-15-18(16,17)11-4-3-9(12)8-10(11)13;/h3-4,8,14-15H,2,5-7H2,1H3;1H
InChIKeyJCGBSBQEJPNBRZ-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.18
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

5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
3-fluoro-4-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716059
2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715884
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47062283
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
CID 120716467
2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
CID 120716096
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120716073) is 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1ccc(Cl)cc1F.Cl.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is JCGBSBQEJPNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S.ClH/c1-2-5-14-6-7-15-18(16,17)11-4-3-9(12)8-10(11)13;/h3-4,8,14-15H,2,5-7H2,1H3;1H.
What are the key properties of 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 331.24 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120716073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).