3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride

C11H10Cl3NO4S — CID 43103226

IUPAC3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl)C1CCCO1
InChIInChI=1S/C11H10Cl3NO4S/c12-7-4-6(20(14,17)18)5-8(13)10(7)15-11(16)9-2-1-3-19-9/h4-5,9H,1-3H2,(H,15,16)
InChIKeyHQVQRGLTUVXIKM-UHFFFAOYSA-N
MW358.63 g/mol
LogP3.04
Rot. Bonds3

About 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride

3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride (PubChem CID 43103226) has the molecular formula C11H10Cl3NO4S and a molecular weight of 358.63 g/mol. Its IUPAC name is 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride
PubChem CID43103226
Molecular FormulaC11H10Cl3NO4S
Molecular Weight358.63 g/mol
Exact Mass356.94
IUPAC Name3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl)C1CCCO1
InChIInChI=1S/C11H10Cl3NO4S/c12-7-4-6(20(14,17)18)5-8(13)10(7)15-11(16)9-2-1-3-19-9/h4-5,9H,1-3H2,(H,15,16)
InChIKeyHQVQRGLTUVXIKM-UHFFFAOYSA-N
XLogP3.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(oxane-2-carbonylamino)benzenesulfonyl chloride
CID 62212788
3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride
CID 43111105
N-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 60531642
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
3-chloro-2-(oxolane-2-carbonylamino)benzoic acid
CID 90792803
3-chloro-5-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 66262669
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107180023
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
3-chloro-4-(1,4-dioxane-2-carbonylamino)benzenesulfonyl chloride
CID 62799378

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride (CID 43103226) is 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride is O=C(Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl)C1CCCO1.
What is the InChIKey of 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride?
The InChIKey is HQVQRGLTUVXIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO4S/c12-7-4-6(20(14,17)18)5-8(13)10(7)15-11(16)9-2-1-3-19-9/h4-5,9H,1-3H2,(H,15,16).
What are the key properties of 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride?
3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride has a molecular weight of 358.63 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43103226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).