N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide

C13H18N2O4S — CID 52568483

IUPACN-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O4S/c1-10(2)9-14(11-3-4-11)20(18,19)13-7-5-12(6-8-13)15(16)17/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyNZCFFCBUASMERU-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.40
Rot. Bonds6

About N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide

N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide (PubChem CID 52568483) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
PubChem CID52568483
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O4S/c1-10(2)9-14(11-3-4-11)20(18,19)13-7-5-12(6-8-13)15(16)17/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyNZCFFCBUASMERU-UHFFFAOYSA-N
XLogP2.40
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
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

4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
N-cyclopropyl-2-methoxy-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 39635425
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
CID 3319709
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclopropyl-4-nitrobenzenesulfonamide
CID 163213927
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
CID 78982763
1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077
4-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methylpropyl)benzene-1,4-disulfonamide
CID 18287287
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 7260423
N-cyclopropyl-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 24679119
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide (CID 52568483) is N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide is CC(C)CN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide?
The InChIKey is NZCFFCBUASMERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(2)9-14(11-3-4-11)20(18,19)13-7-5-12(6-8-13)15(16)17/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide?
N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 52568483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).