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

C12H16ClNO3S — CID 6465192

IUPAC4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C12H16ClNO3S/c1-9(12-3-2-8-17-12)14-18(15,16)11-6-4-10(13)5-7-11/h4-7,9,12,14H,2-3,8H2,1H3
InChIKeyJYGAMUNZRRKTNE-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.19
Rot. Bonds4

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

4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 6465192) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID6465192
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C12H16ClNO3S/c1-9(12-3-2-8-17-12)14-18(15,16)11-6-4-10(13)5-7-11/h4-7,9,12,14H,2-3,8H2,1H3
InChIKeyJYGAMUNZRRKTNE-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 43612644
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43421894
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
2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43533896
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
3-amino-5-fluoro-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 116791500
methyl 3-chloro-4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]sulfamoyl]benzoate
CID 94812176
N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873458
5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide
CID 43421879
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
3-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43533875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 6465192) is 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is JYGAMUNZRRKTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9(12-3-2-8-17-12)14-18(15,16)11-6-4-10(13)5-7-11/h4-7,9,12,14H,2-3,8H2,1H3.
What are the key properties of 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 6465192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).