N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride

C14H22ClFN2O2S — CID 120710372

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)(CN)C1CC1.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-9-6-12(15)7-10(2)13(9)20(18,19)17-14(3,8-16)11-4-5-11;/h6-7,11,17H,4-5,8,16H2,1-3H3;1H
InChIKeyVTYYOZUKWPEMEP-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.27
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 120710372) has the molecular formula C14H22ClFN2O2S and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
PubChem CID120710372
Molecular FormulaC14H22ClFN2O2S
Molecular Weight336.86 g/mol
Exact Mass336.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)(CN)C1CC1.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-9-6-12(15)7-10(2)13(9)20(18,19)17-14(3,8-16)11-4-5-11;/h6-7,11,17H,4-5,8,16H2,1-3H3;1H
InChIKeyVTYYOZUKWPEMEP-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 115307924
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride
CID 119981749
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 119981715
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103100511
4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106328497
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119981622
N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide
CID 97325646
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119573316
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-sulfonamide;hydrochloride
CID 119981675
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
CID 115307839

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride (CID 120710372) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride is Cc1cc(F)cc(C)c1S(=O)(=O)NC(C)(CN)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is VTYYOZUKWPEMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S.ClH/c1-9-6-12(15)7-10(2)13(9)20(18,19)17-14(3,8-16)11-4-5-11;/h6-7,11,17H,4-5,8,16H2,1-3H3;1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120710372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).