N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide

C11H15N3O4S — CID 82854203

IUPACN-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4S/c1-12-10-7-9(5-6-11(10)14(15)16)19(17,18)13(2)8-3-4-8/h5-8,12H,3-4H2,1-2H3
InChIKeyQIJOXIWVBHZJAI-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.42
Rot. Bonds5

About N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide

N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide (PubChem CID 82854203) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
PubChem CID82854203
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4S/c1-12-10-7-9(5-6-11(10)14(15)16)19(17,18)13(2)8-3-4-8/h5-8,12H,3-4H2,1-2H3
InChIKeyQIJOXIWVBHZJAI-UHFFFAOYSA-N
XLogP1.42
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
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-cyclopentyl-3-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 82847526
N-butan-2-yl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82854127
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82847270
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82854442
N-cyclohexyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82845956
N-cyclopentyl-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
CID 43213246
3-(methylamino)-4-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 82845360
N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119966044
N-(2-hydroxyethyl)-3-(methylamino)-4-nitro-N-propan-2-ylbenzenesulfonamide
CID 82846046
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62151398
N-ethyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82854112
N-cyclopropyl-4-fluoro-N,3-dimethyl-5-nitrobenzenesulfonamide
CID 113306304

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide (CID 82854203) is N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide is CNc1cc(S(=O)(=O)N(C)C2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide?
The InChIKey is QIJOXIWVBHZJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-12-10-7-9(5-6-11(10)14(15)16)19(17,18)13(2)8-3-4-8/h5-8,12H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide?
N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide has a molecular weight of 285.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82854203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).