N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide

C11H17N3O4S — CID 22668565

IUPACN-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide
SMILESCN(C)CCN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O
InChIInChI=1S/C11H17N3O4S/c1-12(2)8-9-13(19(3,17)18)10-4-6-11(7-5-10)14(15)16/h4-7H,8-9H2,1-3H3
InChIKeyWUCLJETZBPSKOL-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.92
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide

N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide (PubChem CID 22668565) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide
PubChem CID22668565
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide
SMILESCN(C)CCN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O
InChIInChI=1S/C11H17N3O4S/c1-12(2)8-9-13(19(3,17)18)10-4-6-11(7-5-10)14(15)16/h4-7H,8-9H2,1-3H3
InChIKeyWUCLJETZBPSKOL-UHFFFAOYSA-N
XLogP0.92
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.92
H-Bond Donors ≤ 50
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-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide
CID 22668771
N-(2-chloro-4-nitrophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 23506828
2-(N-methylsulfonyl-4-nitroanilino)ethyl carbamate
CID 175109700
N-[2-(dimethylamino)ethyl]-2-methyl-5-nitro-N-phenylbenzenesulfonamide
CID 47085851
N-[2-(dimethylamino)ethyl]-2-methoxy-5-nitro-N-phenylbenzenesulfonamide
CID 60604235
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-(2-bromoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 23104465
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-nitrophenyl)ethanone
CID 63700749
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide
CID 23507202
2-[[2-(dimethylamino)ethyl-[(2-hydroxy-5-nitrophenyl)methyl]amino]methyl]-4-nitrophenol
CID 71372012
N-methyl-4-nitro-N-phenylaniline
CID 11287619

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide (CID 22668565) is N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide is CN(C)CCN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide?
The InChIKey is WUCLJETZBPSKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-12(2)8-9-13(19(3,17)18)10-4-6-11(7-5-10)14(15)16/h4-7H,8-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide?
N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 22668565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).