2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide

C14H12Cl2N2O4S — CID 3810826

IUPAC2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12Cl2N2O4S/c1-9(10-2-5-12(6-3-10)18(19)20)17-23(21,22)14-7-4-11(15)8-13(14)16/h2-9,17H,1H3
InChIKeyRNOFRYSRKVFSOH-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.94
Rot. Bonds5

About 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide

2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide (PubChem CID 3810826) has the molecular formula C14H12Cl2N2O4S and a molecular weight of 375.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide
PubChem CID3810826
Molecular FormulaC14H12Cl2N2O4S
Molecular Weight375.23 g/mol
Exact Mass373.99
IUPAC Name2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12Cl2N2O4S/c1-9(10-2-5-12(6-3-10)18(19)20)17-23(21,22)14-7-4-11(15)8-13(14)16/h2-9,17H,1H3
InChIKeyRNOFRYSRKVFSOH-UHFFFAOYSA-N
XLogP3.94
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
N-[1-(4-methylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 19680825
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
2-methoxy-5-nitro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55434492
N-[1-(4-bromophenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 2920405
(2S)-2-[(2-chloro-4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid
CID 28542226
5-chloro-2-fluoro-N-[1-(4-nitrophenyl)ethyl]aniline
CID 43438216
2-methoxy-4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 42960706
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 18097036
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide (CID 3810826) is 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide?
The InChIKey is RNOFRYSRKVFSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4S/c1-9(10-2-5-12(6-3-10)18(19)20)17-23(21,22)14-7-4-11(15)8-13(14)16/h2-9,17H,1H3.
What are the key properties of 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide?
2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide has a molecular weight of 375.23 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3810826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).