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N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide

C16H27ClN2O2S — CID 60568297

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccccc1Cl)N(CC)CC
InChIInChI=1S/C16H27ClN2O2S/c1-4-7-12-22(20,21)18-13-16(19(5-2)6-3)14-10-8-9-11-15(14)17/h8-11,16,18H,4-7,12-13H2,1-3H3
InChIKeyKHASXZQMWUZBGO-UHFFFAOYSA-N
MW346.92 g/mol
LogP3.44
Rot. Bonds10

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide (PubChem CID 60568297) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
PubChem CID60568297
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccccc1Cl)N(CC)CC
InChIInChI=1S/C16H27ClN2O2S/c1-4-7-12-22(20,21)18-13-16(19(5-2)6-3)14-10-8-9-11-15(14)17/h8-11,16,18H,4-7,12-13H2,1-3H3
InChIKeyKHASXZQMWUZBGO-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide (CID 60568297) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(c1ccccc1Cl)N(CC)CC.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide?
The InChIKey is KHASXZQMWUZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2S/c1-4-7-12-22(20,21)18-13-16(19(5-2)6-3)14-10-8-9-11-15(14)17/h8-11,16,18H,4-7,12-13H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide has a molecular weight of 346.92 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 60568297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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