4-chloro-N-ethyl-N-phenylbenzenesulfonamide

C14H14ClNO2S — CID 668790

IUPAC4-chloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c1-2-16(13-6-4-3-5-7-13)19(17,18)14-10-8-12(15)9-11-14/h3-11H,2H2,1H3
InChIKeyYQTYXQQORPXCPT-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.56
Rot. Bonds4

About 4-chloro-N-ethyl-N-phenylbenzenesulfonamide

4-chloro-N-ethyl-N-phenylbenzenesulfonamide (PubChem CID 668790) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-phenylbenzenesulfonamide
PubChem CID668790
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name4-chloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c1-2-16(13-6-4-3-5-7-13)19(17,18)14-10-8-12(15)9-11-14/h3-11H,2H2,1H3
InChIKeyYQTYXQQORPXCPT-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
Piperazine, 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-
CID 985376
1-(4-Chlorophenyl)sulfonyl-2,3-dihydroindole
CID 710426
1-(4-Chloro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 2843275
2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668802
4-Chloro-N-(2,5-difluoro-phenyl)-N-((R)-2-hydroxy-1-methyl-ethyl)-benzenesulfonamide
CID 44400772
4-Chloro-N-isopropyl-N-[3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 49864687
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
Benzenesulfonamide, N-methyl-N-phenyl-
CID 135963
1-[(4-Chlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 985365
3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261
2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 767728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-phenylbenzenesulfonamide (CID 668790) is 4-chloro-N-ethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-phenylbenzenesulfonamide?
The InChIKey is YQTYXQQORPXCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-2-16(13-6-4-3-5-7-13)19(17,18)14-10-8-12(15)9-11-14/h3-11H,2H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-phenylbenzenesulfonamide?
4-chloro-N-ethyl-N-phenylbenzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 668790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).