N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide

C10H14N2O6S — CID 15590967

IUPACN-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C10H14N2O6S/c1-11(5-6-13)19(16,17)10-7-8(12(14)15)3-4-9(10)18-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyOINVVAQOFPSVKO-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.22
Rot. Bonds6

About N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide

N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide (PubChem CID 15590967) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
PubChem CID15590967
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC NameN-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C10H14N2O6S/c1-11(5-6-13)19(16,17)10-7-8(12(14)15)3-4-9(10)18-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyOINVVAQOFPSVKO-UHFFFAOYSA-N
XLogP0.22
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
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

methyl 2-[(2-methoxy-5-nitrophenyl)sulfonyl-methylamino]acetate
CID 43408385
N-(1-hydroxypropan-2-yl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 115776368
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119991442
N-(1-aminopropan-2-yl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 119982430
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 7510336
N-[2-(dimethylamino)ethyl]-2-methoxy-5-nitro-N-phenylbenzenesulfonamide
CID 60604235
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
N-(1-cyanopropan-2-yl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 63224457
2-(3,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-methyl-5-nitrobenzenesulfonamide
CID 59260852
2-chloro-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61045808
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 51248989

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide (CID 15590967) is N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide?
The InChIKey is OINVVAQOFPSVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-11(5-6-13)19(16,17)10-7-8(12(14)15)3-4-9(10)18-2/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide?
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide has a molecular weight of 290.30 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 15590967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).