N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride

C11H19ClN2O2S — CID 119975374

IUPACN-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CN)cc1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-9-4-6-10(7-5-9)16(14,15)13-11(2,3)8-12;/h4-7,13H,8,12H2,1-3H3;1H
InChIKeyFKPOFCVBAHQSER-UHFFFAOYSA-N
MW278.81 g/mol
LogP1.43
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 119975374) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.81 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
PubChem CID119975374
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.81 g/mol
Exact Mass278.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CN)cc1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-9-4-6-10(7-5-9)16(14,15)13-11(2,3)8-12;/h4-7,13H,8,12H2,1-3H3;1H
InChIKeyFKPOFCVBAHQSER-UHFFFAOYSA-N
XLogP1.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120709191
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119975791
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
CID 55161784
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 119975574
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride (CID 119975374) is N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC(C)(C)CN)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is FKPOFCVBAHQSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S.ClH/c1-9-4-6-10(7-5-9)16(14,15)13-11(2,3)8-12;/h4-7,13H,8,12H2,1-3H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 278.81 g/mol, XLogP of 1.43, 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)-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119975374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).