N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride

C10H16ClN3O4S — CID 119988012

IUPACN-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C10H15N3O4S.ClH/c1-10(2,11)7-12-18(16,17)9-5-3-8(4-6-9)13(14)15;/h3-6,12H,7,11H2,1-2H3;1H
InChIKeyKSVLQIVUHQQSFQ-UHFFFAOYSA-N
MW309.78 g/mol
LogP1.03
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride (PubChem CID 119988012) has the molecular formula C10H16ClN3O4S and a molecular weight of 309.78 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
PubChem CID119988012
Molecular FormulaC10H16ClN3O4S
Molecular Weight309.78 g/mol
Exact Mass309.06
IUPAC NameN-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C10H15N3O4S.ClH/c1-10(2,11)7-12-18(16,17)9-5-3-8(4-6-9)13(14)15;/h3-6,12H,7,11H2,1-2H3;1H
InChIKeyKSVLQIVUHQQSFQ-UHFFFAOYSA-N
XLogP1.03
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-4-nitrobenzenesulfonamide
CID 65113024
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(2-amino-2-methylpropyl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119988333
N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119988044
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-[2-(2,2-dimethylpropylamino)ethyl]-4-nitrobenzenesulfonamide
CID 119110475
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride (CID 119988012) is N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride is CC(C)(N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is KSVLQIVUHQQSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S.ClH/c1-10(2,11)7-12-18(16,17)9-5-3-8(4-6-9)13(14)15;/h3-6,12H,7,11H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 309.78 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).