N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide

C14H16N2O6S — CID 121085993

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C14H16N2O6S/c1-10-5-6-11(16(18)19)8-12(10)23(20,21)15-9-14(2,17)13-4-3-7-22-13/h3-8,15,17H,9H2,1-2H3
InChIKeyPHGNPFNVXKOKHQ-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 121085993) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide
PubChem CID121085993
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C14H16N2O6S/c1-10-5-6-11(16(18)19)8-12(10)23(20,21)15-9-14(2,17)13-4-3-7-22-13/h3-8,15,17H,9H2,1-2H3
InChIKeyPHGNPFNVXKOKHQ-UHFFFAOYSA-N
XLogP1.68
TPSA122.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.68
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

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 121085546
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-nitrobenzenesulfonamide
CID 65113257
N-(2-hydroxy-2-methylbutyl)-2-methyl-5-nitrobenzenesulfonamide
CID 65112954
N-(2-amino-2-ethylbutyl)-2-methyl-5-nitrobenzenesulfonamide
CID 115305944
N-(2-amino-2-ethylbutyl)-2-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119989671
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 21367232
2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133323722
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 71782634
2-methyl-5-nitro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834036
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
2-(dimethylamino)-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-nitrobenzamide
CID 111520203

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide (CID 121085993) is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is PHGNPFNVXKOKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S/c1-10-5-6-11(16(18)19)8-12(10)23(20,21)15-9-14(2,17)13-4-3-7-22-13/h3-8,15,17H,9H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 340.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 121085993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).