3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide

C11H15ClN2O5S2 — CID 63247341

IUPAC3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CC2CCCO2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O5S2/c12-10-6-9(21(13,17)18)3-4-11(10)14-20(15,16)7-8-2-1-5-19-8/h3-4,6,8,14H,1-2,5,7H2,(H2,13,17,18)
InChIKeyFHVQEMMETHYMKB-UHFFFAOYSA-N
MW354.84 g/mol
LogP0.91
Rot. Bonds5

About 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide

3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide (PubChem CID 63247341) has the molecular formula C11H15ClN2O5S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
PubChem CID63247341
Molecular FormulaC11H15ClN2O5S2
Molecular Weight354.84 g/mol
Exact Mass354.01
IUPAC Name3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CC2CCCO2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O5S2/c12-10-6-9(21(13,17)18)3-4-11(10)14-20(15,16)7-8-2-1-5-19-8/h3-4,6,8,14H,1-2,5,7H2,(H2,13,17,18)
InChIKeyFHVQEMMETHYMKB-UHFFFAOYSA-N
XLogP0.91
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 82836345
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247049
3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
CID 82843552
N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide
CID 102563351
3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125161769
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide (CID 63247341) is 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)CC2CCCO2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The InChIKey is FHVQEMMETHYMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5S2/c12-10-6-9(21(13,17)18)3-4-11(10)14-20(15,16)7-8-2-1-5-19-8/h3-4,6,8,14H,1-2,5,7H2,(H2,13,17,18).
What are the key properties of 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide has a molecular weight of 354.84 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 63247341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).