N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride

C11H17ClF2N2O2S — CID 119982500

IUPACN-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C(C)CN)c(F)cc1F.Cl
InChIInChI=1S/C11H16F2N2O2S.ClH/c1-7-4-11(10(13)5-9(7)12)18(16,17)15(3)8(2)6-14;/h4-5,8H,6,14H2,1-3H3;1H
InChIKeyYESNHIFJFJDSPQ-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.66
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119982500) has the molecular formula C11H17ClF2N2O2S and a molecular weight of 314.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119982500
Molecular FormulaC11H17ClF2N2O2S
Molecular Weight314.79 g/mol
Exact Mass314.07
IUPAC NameN-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C(C)CN)c(F)cc1F.Cl
InChIInChI=1S/C11H16F2N2O2S.ClH/c1-7-4-11(10(13)5-9(7)12)18(16,17)15(3)8(2)6-14;/h4-5,8H,6,14H2,1-3H3;1H
InChIKeyYESNHIFJFJDSPQ-UHFFFAOYSA-N
XLogP1.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-4-bromo-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120710582
N-(1-aminopropan-2-yl)-3,4,5-trifluoro-N-methylbenzenesulfonamide
CID 119982906
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
N-(1-aminopropan-2-yl)-N,4,5-trimethylthiophene-2-sulfonamide
CID 86784631
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzamide;hydrochloride
CID 119581694
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120710579
N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119982967
N-(1-aminopropan-2-yl)-N,2-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119982869
4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120875211

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride (CID 119982500) is N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)N(C)C(C)CN)c(F)cc1F.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is YESNHIFJFJDSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S.ClH/c1-7-4-11(10(13)5-9(7)12)18(16,17)15(3)8(2)6-14;/h4-5,8H,6,14H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 314.79 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119982500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).