2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide

C10H15N3O5S — CID 11266237

IUPAC2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1NCCO
InChIInChI=1S/C10H15N3O5S/c1-12(2)19(17,18)9-5-3-4-8(13(15)16)10(9)11-6-7-14/h3-5,11,14H,6-7H2,1-2H3
InChIKeyQDBKFHDOAYGNJE-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.25
Rot. Bonds6

About 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide

2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide (PubChem CID 11266237) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide
PubChem CID11266237
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1NCCO
InChIInChI=1S/C10H15N3O5S/c1-12(2)19(17,18)9-5-3-4-8(13(15)16)10(9)11-6-7-14/h3-5,11,14H,6-7H2,1-2H3
InChIKeyQDBKFHDOAYGNJE-UHFFFAOYSA-N
XLogP0.25
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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CID 11312262
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4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzenesulfonamide
CID 112706312
5-(2-chloro-6-nitroanilino)pentan-1-ol
CID 107318138
N-[2-(2-methyl-6-nitroanilino)ethyl]methanesulfonamide
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N-[2-(2-chloro-6-nitroanilino)ethyl]methanesulfonamide
CID 62085852
N-(2-methyl-6-nitrophenyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 78918366
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 25435774
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide?
The IUPAC name of 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide (CID 11266237) is 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide?
The canonical SMILES for 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide is CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide?
The InChIKey is QDBKFHDOAYGNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-12(2)19(17,18)9-5-3-4-8(13(15)16)10(9)11-6-7-14/h3-5,11,14H,6-7H2,1-2H3.
What are the key properties of 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide?
2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide has a molecular weight of 289.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 11266237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).