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

C11H18Cl2N2O2S — CID 119975810

IUPACN-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-8-6-9(12)4-5-10(8)17(15,16)14-11(2,3)7-13;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyCOQAQDCUSKCKIS-UHFFFAOYSA-N
MW313.25 g/mol
LogP2.09
Rot. Bonds4

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

N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119975810) has the molecular formula C11H18Cl2N2O2S and a molecular weight of 313.25 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119975810
Molecular FormulaC11H18Cl2N2O2S
Molecular Weight313.25 g/mol
Exact Mass312.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-8-6-9(12)4-5-10(8)17(15,16)14-11(2,3)7-13;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyCOQAQDCUSKCKIS-UHFFFAOYSA-N
XLogP2.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
N-(1-amino-2-methylpropan-2-yl)-2-methyl-4-nitrobenzenesulfonamide
CID 63194182
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119975791
4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 64557435
N-(1-amino-2-methylpropan-2-yl)-2,5-difluoro-4-methylbenzenesulfonamide
CID 86780656
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119981346
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide
CID 63888195
N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
CID 119975725

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride (CID 119975810) is N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride is Cc1cc(Cl)ccc1S(=O)(=O)NC(C)(C)CN.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is COQAQDCUSKCKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S.ClH/c1-8-6-9(12)4-5-10(8)17(15,16)14-11(2,3)7-13;/h4-6,14H,7,13H2,1-3H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 313.25 g/mol, XLogP of 2.09, 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-chloro-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119975810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).