4-(methylamino)-2-nitro-N-propylbenzenesulfonamide

C10H15N3O4S — CID 62148432

IUPAC4-(methylamino)-2-nitro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O4S/c1-3-6-12-18(16,17)10-5-4-8(11-2)7-9(10)13(14)15/h4-5,7,11-12H,3,6H2,1-2H3
InChIKeyWMNNTYIWPOFSTK-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.32
Rot. Bonds6

About 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide

4-(methylamino)-2-nitro-N-propylbenzenesulfonamide (PubChem CID 62148432) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-2-nitro-N-propylbenzenesulfonamide
PubChem CID62148432
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4-(methylamino)-2-nitro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O4S/c1-3-6-12-18(16,17)10-5-4-8(11-2)7-9(10)13(14)15/h4-5,7,11-12H,3,6H2,1-2H3
InChIKeyWMNNTYIWPOFSTK-UHFFFAOYSA-N
XLogP1.32
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.32
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

5-(methylamino)-2-nitro-N-pentylbenzenesulfonamide
CID 62162640
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
N-(2-methylcyclopropyl)-2-nitro-4-(propylamino)benzenesulfonamide
CID 62408264
4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004068
4-(ethylamino)-N-(3-methoxypropyl)-2-nitrobenzenesulfonamide
CID 62145300
4-bromo-2-nitro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716331
N-cyclopentyl-4-(methylamino)-2-nitrobenzenesulfonamide
CID 62149673
2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide
CID 17319807
4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 66355471
4-(methylamino)-2-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 62146487
4-nitro-N-propyl-2-(propylamino)benzenesulfonamide
CID 62148948
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate
CID 83205612

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide?
The IUPAC name of 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide (CID 62148432) is 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide?
The InChIKey is WMNNTYIWPOFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-3-6-12-18(16,17)10-5-4-8(11-2)7-9(10)13(14)15/h4-5,7,11-12H,3,6H2,1-2H3.
What are the key properties of 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide?
4-(methylamino)-2-nitro-N-propylbenzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-nitro-N-propylbenzenesulfonamide is sourced from PubChem (CID 62148432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).