N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide

C15H15ClN2O5S — CID 90623875

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O5S/c1-23-15(13-4-2-3-5-14(13)16)10-17-24(21,22)12-8-6-11(7-9-12)18(19)20/h2-9,15,17H,10H2,1H3
InChIKeyUUUGAWQUIRWGOF-UHFFFAOYSA-N
MW370.81 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide (PubChem CID 90623875) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide
PubChem CID90623875
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O5S/c1-23-15(13-4-2-3-5-14(13)16)10-17-24(21,22)12-8-6-11(7-9-12)18(19)20/h2-9,15,17H,10H2,1H3
InChIKeyUUUGAWQUIRWGOF-UHFFFAOYSA-N
XLogP2.91
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
CID 99876233
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide
CID 100763252
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide
CID 97306334
N-[3-(2-chlorophenyl)prop-2-ynyl]-4-nitrobenzenesulfonamide
CID 90552968
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-nitrobenzenesulfonamide
CID 16831470
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide (CID 90623875) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide is COC(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide?
The InChIKey is UUUGAWQUIRWGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-23-15(13-4-2-3-5-14(13)16)10-17-24(21,22)12-8-6-11(7-9-12)18(19)20/h2-9,15,17H,10H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide has a molecular weight of 370.81 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 90623875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).