N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide

C10H15N3O4S — CID 112675307

IUPACN-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O4S/c1-4-12(3)18(16,17)9-7-5-6-8(11-2)10(9)13(14)15/h5-7,11H,4H2,1-3H3
InChIKeyMTDXNMDRTUWLKV-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.28
Rot. Bonds5

About N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide

N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide (PubChem CID 112675307) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
PubChem CID112675307
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O4S/c1-4-12(3)18(16,17)9-7-5-6-8(11-2)10(9)13(14)15/h5-7,11H,4H2,1-3H3
InChIKeyMTDXNMDRTUWLKV-UHFFFAOYSA-N
XLogP1.28
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.28
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-(2-hydroxyethyl)-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 112675323
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 115993732
N-methyl-3-(methylamino)-2-nitro-N-pentan-2-ylbenzenesulfonamide
CID 115993430
N,N-bis(2-hydroxyethyl)-3-(methylamino)-2-nitrobenzenesulfonamide
CID 115993466
N-methyl-3-methylsulfonyl-2-nitroaniline
CID 71377132
N-butyl-3-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
CID 115993200
3-N-ethyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80774350
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
3-fluoro-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115589530
N-butyl-3-fluoro-N-methyl-2-nitrobenzenesulfonamide
CID 112686204
3-(methylamino)-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 115993594
3-amino-N-(2-cyanoethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 112675251

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide?
The IUPAC name of N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide (CID 112675307) is N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide is CCN(C)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide?
The InChIKey is MTDXNMDRTUWLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-4-12(3)18(16,17)9-7-5-6-8(11-2)10(9)13(14)15/h5-7,11H,4H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide?
N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 112675307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).