N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride

C11H15BrClN3O2S — CID 119975364

IUPACN-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1cc(Br)cc(C#N)c1.Cl
InChIInChI=1S/C11H14BrN3O2S.ClH/c1-11(2,7-14)15-18(16,17)10-4-8(6-13)3-9(12)5-10;/h3-5,15H,7,14H2,1-2H3;1H
InChIKeyXPCLRLRMTCPGHH-UHFFFAOYSA-N
MW368.68 g/mol
LogP1.76
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride (PubChem CID 119975364) has the molecular formula C11H15BrClN3O2S and a molecular weight of 368.68 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride
PubChem CID119975364
Molecular FormulaC11H15BrClN3O2S
Molecular Weight368.68 g/mol
Exact Mass366.98
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1cc(Br)cc(C#N)c1.Cl
InChIInChI=1S/C11H14BrN3O2S.ClH/c1-11(2,7-14)15-18(16,17)10-4-8(6-13)3-9(12)5-10;/h3-5,15H,7,14H2,1-2H3;1H
InChIKeyXPCLRLRMTCPGHH-UHFFFAOYSA-N
XLogP1.76
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-bromo-5-cyanobenzenesulfonamide;hydrochloride
CID 119981136
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
CID 55161784
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 91659844
N-[3-(aminomethyl)pentan-3-yl]-3-cyanobenzenesulfonamide;hydrochloride
CID 119981457
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
3-cyano-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7510319
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975578
3-bromo-5-cyano-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721138
N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975663

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride (CID 119975364) is N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride is CC(C)(CN)NS(=O)(=O)c1cc(Br)cc(C#N)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride?
The InChIKey is XPCLRLRMTCPGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S.ClH/c1-11(2,7-14)15-18(16,17)10-4-8(6-13)3-9(12)5-10;/h3-5,15H,7,14H2,1-2H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride has a molecular weight of 368.68 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119975364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).