N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride

C12H21ClN2O2S — CID 119975791

IUPACN-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-9-5-6-10(2)11(7-9)17(15,16)14-12(3,4)8-13;/h5-7,14H,8,13H2,1-4H3;1H
InChIKeyMNPXPWLHOSUBMY-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.74
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119975791) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119975791
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-9-5-6-10(2)11(7-9)17(15,16)14-12(3,4)8-13;/h5-7,14H,8,13H2,1-4H3;1H
InChIKeyMNPXPWLHOSUBMY-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 39371866
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120709189
N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 106165227
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
N-(1-amino-2-methylpropan-2-yl)-2,5-difluoro-4-methylbenzenesulfonamide
CID 86780656
N-[3-(bromomethyl)pentan-3-yl]-2,5-dimethylbenzenesulfonamide
CID 114294055
N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-5-nitrobenzenesulfonamide
CID 120709178

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride (CID 119975791) is N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CN)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is MNPXPWLHOSUBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-9-5-6-10(2)11(7-9)17(15,16)14-12(3,4)8-13;/h5-7,14H,8,13H2,1-4H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119975791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).