4-chloro-N,N-diethylbenzenesulfonamide

C10H14ClNO2S — CID 965267

IUPAC4-chloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyXFDZISYGOCDTJL-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-N,N-diethylbenzenesulfonamide

4-chloro-N,N-diethylbenzenesulfonamide (PubChem CID 965267) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 4-chloro-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-diethylbenzenesulfonamide
PubChem CID965267
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name4-chloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyXFDZISYGOCDTJL-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chlorobenzenesulfonamide
CID 66824
1-(4-Chlorobenzenesulfonyl)piperazine
CID 801806
4-Chloro-N-methylbenzenesulfonamide
CID 232992
Benzenesulfonamide, 4-chloro-N,N-dimethyl-
CID 81967
N,N-Diethylbenzenesulfonamide
CID 74367
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
1-(4-Chlorophenyl)sulfonylazepane
CID 822517
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
Benzenesulfonamide, p-chloro-N-(2-diethylaminoethyl)-
CID 208542
N,N-Dibutyl-4-chlorobenzenesulfonamide
CID 31385
N-Butyl-4-chlorobenzenesulfonamide
CID 101303
1-[(4-Chlorophenyl)sulfonyl]-3-methylpiperidine
CID 2842964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N,N-diethylbenzenesulfonamide (CID 965267) is 4-chloro-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N,N-diethylbenzenesulfonamide?
The InChIKey is XFDZISYGOCDTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethylbenzenesulfonamide?
4-chloro-N,N-diethylbenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 965267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).