2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

C10H15Cl2FN2O2S — CID 120824623

IUPAC2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C10H14ClFN2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-4-3-8(12)5-9(10)11;/h3-5,7,13-14H,6H2,1-2H3;1H
InChIKeyZCSBVFRGQIRYOG-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.79
Rot. Bonds5

About 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120824623) has the molecular formula C10H15Cl2FN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120824623
Molecular FormulaC10H15Cl2FN2O2S
Molecular Weight317.21 g/mol
Exact Mass316.02
IUPAC Name2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C10H14ClFN2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-4-3-8(12)5-9(10)11;/h3-5,7,13-14H,6H2,1-2H3;1H
InChIKeyZCSBVFRGQIRYOG-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936858
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824888
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120824623) is 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is ZCSBVFRGQIRYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-4-3-8(12)5-9(10)11;/h3-5,7,13-14H,6H2,1-2H3;1H.
What are the key properties of 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 317.21 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120824623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).