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

C10H15ClN2O4S — CID 70066584

IUPACN-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
SMILESCC(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C10H14N2O4S.ClH/c1-8(2)7-11-17(15,16)10-5-3-9(4-6-10)12(13)14;/h3-6,8,11H,7H2,1-2H3;1H
InChIKeyCDOBTPPZMKBVDK-UHFFFAOYSA-N
MW294.76 g/mol
LogP1.95
Rot. Bonds5

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

N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride (PubChem CID 70066584) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
PubChem CID70066584
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC NameN-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
SMILESCC(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C10H14N2O4S.ClH/c1-8(2)7-11-17(15,16)10-5-3-9(4-6-10)12(13)14;/h3-6,8,11H,7H2,1-2H3;1H
InChIKeyCDOBTPPZMKBVDK-UHFFFAOYSA-N
XLogP1.95
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-4-methylpentyl)-4-nitrobenzenesulfonamide
CID 43606335
N-(2-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 113492787
N-(3-amino-2-hydroxypropyl)-4-nitrobenzenesulfonamide
CID 5233001
N-[2-(2-hydroxypropylamino)ethyl]-4-nitrobenzenesulfonamide
CID 104594085
N-[2-(2-methylpropoxy)ethyl]-4-nitrobenzenesulfonamide
CID 87024852
N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 119988012
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
N-[(2R)-2-chloro-2-(4-nitrophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135062464
N-[2-(2,6-dimethylphenoxy)propyl]-4-nitrobenzenesulfonamide
CID 69379381
N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2225731
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
CID 99625428
N-[3-(2-methylpropoxy)propyl]-4-nitrobenzenesulfonamide
CID 26544689

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride (CID 70066584) is N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride is CC(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is CDOBTPPZMKBVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S.ClH/c1-8(2)7-11-17(15,16)10-5-3-9(4-6-10)12(13)14;/h3-6,8,11H,7H2,1-2H3;1H.
What are the key properties of N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride?
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 294.76 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 70066584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).