3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride

C12H16ClNO5S2 — CID 43533925

IUPAC3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
SMILESCC(NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1)C1CCCO1
InChIInChI=1S/C12H16ClNO5S2/c1-9(12-6-3-7-19-12)14-21(17,18)11-5-2-4-10(8-11)20(13,15)16/h2,4-5,8-9,12,14H,3,6-7H2,1H3
InChIKeySUHDIIUPRRRBFL-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.46
Rot. Bonds5

About 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride

3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride (PubChem CID 43533925) has the molecular formula C12H16ClNO5S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
PubChem CID43533925
Molecular FormulaC12H16ClNO5S2
Molecular Weight353.85 g/mol
Exact Mass353.02
IUPAC Name3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
SMILESCC(NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1)C1CCCO1
InChIInChI=1S/C12H16ClNO5S2/c1-9(12-6-3-7-19-12)14-21(17,18)11-5-2-4-10(8-11)20(13,15)16/h2,4-5,8-9,12,14H,3,6-7H2,1H3
InChIKeySUHDIIUPRRRBFL-UHFFFAOYSA-N
XLogP1.46
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873458
3-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 43533927
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
4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 43612644
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43421894
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
3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride
CID 43108680
2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43533896
3-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43533875

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride (CID 43533925) is 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride is CC(NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1)C1CCCO1.
What is the InChIKey of 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride?
The InChIKey is SUHDIIUPRRRBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO5S2/c1-9(12-6-3-7-19-12)14-21(17,18)11-5-2-4-10(8-11)20(13,15)16/h2,4-5,8-9,12,14H,3,6-7H2,1H3.
What are the key properties of 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride?
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride has a molecular weight of 353.85 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 43533925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).