4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide

C18H24ClNO2S2 — CID 152973851

IUPAC4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)CCc2ccc(Cl)s2)cc1
InChIInChI=1S/C18H24ClNO2S2/c1-4-20(5-2)24(21,22)17-11-7-15(8-12-17)14(3)6-9-16-10-13-18(19)23-16/h7-8,10-14H,4-6,9H2,1-3H3
InChIKeyUSZZLENFVLYIAB-UHFFFAOYSA-N
MW385.98 g/mol
LogP5.17
Rot. Bonds8

About 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide

4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide (PubChem CID 152973851) has the molecular formula C18H24ClNO2S2 and a molecular weight of 385.98 g/mol. Its IUPAC name is 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide
PubChem CID152973851
Molecular FormulaC18H24ClNO2S2
Molecular Weight385.98 g/mol
Exact Mass385.09
IUPAC Name4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)CCc2ccc(Cl)s2)cc1
InChIInChI=1S/C18H24ClNO2S2/c1-4-20(5-2)24(21,22)17-11-7-15(8-12-17)14(3)6-9-16-10-13-18(19)23-16/h7-8,10-14H,4-6,9H2,1-3H3
InChIKeyUSZZLENFVLYIAB-UHFFFAOYSA-N
XLogP5.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.98
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 9301903
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
CID 134002462
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 55771526
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
4-[(1R)-2-bromo-1-hydroxyethyl]-N,N-diethylbenzenesulfonamide
CID 25324249
4-(2-bromo-1-hydroxyethyl)-N,N-diethylbenzenesulfonamide
CID 53406864
4-N,4-N-diethyl-1-N-methyl-1-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide
CID 30963940
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(5-methylthiophen-2-yl)acetamide
CID 60580112
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
4-[(E)-3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]-N,N-diethylbenzenesulfonamide
CID 17446583
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide (CID 152973851) is 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(C)CCc2ccc(Cl)s2)cc1.
What is the InChIKey of 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide?
The InChIKey is USZZLENFVLYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2S2/c1-4-20(5-2)24(21,22)17-11-7-15(8-12-17)14(3)6-9-16-10-13-18(19)23-16/h7-8,10-14H,4-6,9H2,1-3H3.
What are the key properties of 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide?
4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide has a molecular weight of 385.98 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 152973851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).