2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide

C16H18Cl2N2O2S — CID 3830236

IUPAC2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O2S/c1-3-20(4-2)14-8-6-13(7-9-14)19-23(21,22)16-10-5-12(17)11-15(16)18/h5-11,19H,3-4H2,1-2H3
InChIKeyNEXNMKISILPPOB-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.64
Rot. Bonds6

About 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide

2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide (PubChem CID 3830236) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
PubChem CID3830236
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O2S/c1-3-20(4-2)14-8-6-13(7-9-14)19-23(21,22)16-10-5-12(17)11-15(16)18/h5-11,19H,3-4H2,1-2H3
InChIKeyNEXNMKISILPPOB-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3935169
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 9234931
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 109010434
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 22774991
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
CID 39584361
3-[[4-(diethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 8822368

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide (CID 3830236) is 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The InChIKey is NEXNMKISILPPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-3-20(4-2)14-8-6-13(7-9-14)19-23(21,22)16-10-5-12(17)11-15(16)18/h5-11,19H,3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide?
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide has a molecular weight of 373.31 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 3830236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).