3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide

C16H19ClN2O2S — CID 3839904

IUPAC3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-3-19(4-2)15-10-8-14(9-11-15)18-22(20,21)16-7-5-6-13(17)12-16/h5-12,18H,3-4H2,1-2H3
InChIKeyFZTGMZCDGPDJNJ-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.99
Rot. Bonds6

About 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide

3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide (PubChem CID 3839904) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
PubChem CID3839904
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-3-19(4-2)15-10-8-14(9-11-15)18-22(20,21)16-7-5-6-13(17)12-16/h5-12,18H,3-4H2,1-2H3
InChIKeyFZTGMZCDGPDJNJ-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.99
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

N-[4-[butyl(methyl)amino]phenyl]-3-chlorobenzenesulfonamide
CID 112985397
3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094344
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 71013468
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030499
2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3935169
3-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87731949
4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
3-chloro-N-[4-(3,4-difluoroanilino)phenyl]benzenesulfonamide
CID 112990324
4-[(3-chlorophenyl)sulfonylamino]benzenecarbothioamide
CID 43120080
3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide
CID 112983297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide (CID 3839904) is 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The InChIKey is FZTGMZCDGPDJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-3-19(4-2)15-10-8-14(9-11-15)18-22(20,21)16-7-5-6-13(17)12-16/h5-12,18H,3-4H2,1-2H3.
What are the key properties of 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide?
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide has a molecular weight of 338.86 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 3839904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).