4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide

C18H23ClN2O2S — CID 3810600

IUPAC4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1
InChIInChI=1S/C18H23ClN2O2S/c1-5-21(6-2)16-9-7-15(8-10-16)20-24(22,23)18-12-13(3)17(19)11-14(18)4/h7-12,20H,5-6H2,1-4H3
InChIKeyPOSZZEZFIUPPEY-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.60
Rot. Bonds6

About 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 3810600) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID3810600
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1
InChIInChI=1S/C18H23ClN2O2S/c1-5-21(6-2)16-9-7-15(8-10-16)20-24(22,23)18-12-13(3)17(19)11-14(18)4/h7-12,20H,5-6H2,1-4H3
InChIKeyPOSZZEZFIUPPEY-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.60
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

2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3935169
3-[[4-(diethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 8822368
4-chloro-2,5-dimethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774128
2-(diethylamino)ethyl 4-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]benzoate
CID 22204210
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
4-chloro-2,5-dimethyl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202783
4-chloro-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22205140
3-[[4-(diethylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoate
CID 9234909
N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 9234931
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide (CID 3810600) is 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1.
What is the InChIKey of 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is POSZZEZFIUPPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-5-21(6-2)16-9-7-15(8-10-16)20-24(22,23)18-12-13(3)17(19)11-14(18)4/h7-12,20H,5-6H2,1-4H3.
What are the key properties of 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 366.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 3810600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).