4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide

C10H16N4O4S — CID 43244697

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C10H16N4O4S/c1-13(2)6-5-12-19(17,18)8-3-4-9(11)10(7-8)14(15)16/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyQARUJXWTQQZSIA-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.02
Rot. Bonds6

About 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide

4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide (PubChem CID 43244697) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
PubChem CID43244697
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C10H16N4O4S/c1-13(2)6-5-12-19(17,18)8-3-4-9(11)10(7-8)14(15)16/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyQARUJXWTQQZSIA-UHFFFAOYSA-N
XLogP0.02
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide
CID 82222955
2-[(4-amino-3-nitrophenyl)sulfonylamino]ethylurea
CID 83115528
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 82845821
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 82846355
3-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 115328557
N-[2-(dimethylamino)ethyl]-4-(4-methylanilino)-3-nitrobenzenesulfonamide
CID 9187411
4-amino-N-(2-cyclopentylethyl)-3-nitrobenzenesulfonamide
CID 60920840
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
N-[2-(dimethylamino)ethyl]-4-(2-fluoro-4-methylanilino)-3-nitrobenzenesulfonamide
CID 9250673
N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-nitrobenzenesulfonamide
CID 9187436
4-amino-3-nitro-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106430175

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide (CID 43244697) is 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide?
The InChIKey is QARUJXWTQQZSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-13(2)6-5-12-19(17,18)8-3-4-9(11)10(7-8)14(15)16/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide?
4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43244697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).