4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide

C14H20ClNO3S — CID 43612644

IUPAC4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CCCl)cc1)C1CCCO1
InChIInChI=1S/C14H20ClNO3S/c1-11(14-3-2-10-19-14)16-20(17,18)13-6-4-12(5-7-13)8-9-15/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyHYUUTUSAAZDWOD-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.31
Rot. Bonds6

About 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide

4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 43612644) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID43612644
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CCCl)cc1)C1CCCO1
InChIInChI=1S/C14H20ClNO3S/c1-11(14-3-2-10-19-14)16-20(17,18)13-6-4-12(5-7-13)8-9-15/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyHYUUTUSAAZDWOD-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42955258
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43421894
N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873458
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43533896
4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 107858812
N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106066113
methyl 3-chloro-4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]sulfamoyl]benzoate
CID 94812176
3-amino-5-fluoro-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 116791500

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 43612644) is 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(CCCl)cc1)C1CCCO1.
What is the InChIKey of 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is HYUUTUSAAZDWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11(14-3-2-10-19-14)16-20(17,18)13-6-4-12(5-7-13)8-9-15/h4-7,11,14,16H,2-3,8-10H2,1H3.
What are the key properties of 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 43612644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).