2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride

C11H13Cl2NO4S2 — CID 105361036

IUPAC2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(NS(=O)(=O)C2CCCC2)cc1Cl
InChIInChI=1S/C11H13Cl2NO4S2/c12-10-7-8(5-6-11(10)19(13,15)16)14-20(17,18)9-3-1-2-4-9/h5-7,9,14H,1-4H2
InChIKeyOZTSNAMQFHXLDM-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride

2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride (PubChem CID 105361036) has the molecular formula C11H13Cl2NO4S2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride
PubChem CID105361036
Molecular FormulaC11H13Cl2NO4S2
Molecular Weight358.27 g/mol
Exact Mass356.97
IUPAC Name2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(NS(=O)(=O)C2CCCC2)cc1Cl
InChIInChI=1S/C11H13Cl2NO4S2/c12-10-7-8(5-6-11(10)19(13,15)16)14-20(17,18)9-3-1-2-4-9/h5-7,9,14H,1-4H2
InChIKeyOZTSNAMQFHXLDM-UHFFFAOYSA-N
XLogP2.95
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride (CID 105361036) is 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(NS(=O)(=O)C2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is OZTSNAMQFHXLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S2/c12-10-7-8(5-6-11(10)19(13,15)16)14-20(17,18)9-3-1-2-4-9/h5-7,9,14H,1-4H2.
What are the key properties of 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride?
2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 358.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 105361036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).