N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide

C14H17N3O5S — CID 41454933

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
SMILESCN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C14H17N3O5S/c1-16(2)13(14-4-3-9-22-14)10-15-23(20,21)12-7-5-11(6-8-12)17(18)19/h3-9,13,15H,10H2,1-2H3/t13-/m0/s1
InChIKeyRPNKATPWYCLGOJ-ZDUSSCGKSA-N
MW339.37 g/mol
LogP1.77
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide (PubChem CID 41454933) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
PubChem CID41454933
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
SMILESCN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C14H17N3O5S/c1-16(2)13(14-4-3-9-22-14)10-15-23(20,21)12-7-5-11(6-8-12)17(18)19/h3-9,13,15H,10H2,1-2H3/t13-/m0/s1
InChIKeyRPNKATPWYCLGOJ-ZDUSSCGKSA-N
XLogP1.77
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.77
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

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 51943762
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-nitrobenzenesulfonamide
CID 16831470
3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
CID 55511765
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-nitrobenzenesulfonamide
CID 18574167
4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 60602634
N-[2-(dimethylamino)ethyl]-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-nitrobenzenesulfonamide
CID 55346473
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid
CID 71786114
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 51174996
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-nitrobenzenesulfonamide
CID 43971497

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide (CID 41454933) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide is CN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide?
The InChIKey is RPNKATPWYCLGOJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-16(2)13(14-4-3-9-22-14)10-15-23(20,21)12-7-5-11(6-8-12)17(18)19/h3-9,13,15H,10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide has a molecular weight of 339.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 41454933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).