4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride

C11H12ClF2NO4S2 — CID 105361039

IUPAC4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(NS(=O)(=O)C2CCCC2)c(F)c1
InChIInChI=1S/C11H12ClF2NO4S2/c12-20(16,17)8-5-9(13)11(10(14)6-8)15-21(18,19)7-3-1-2-4-7/h5-7,15H,1-4H2
InChIKeyNYMICJUYPWJFQY-UHFFFAOYSA-N
MW359.80 g/mol
LogP2.58
Rot. Bonds4

About 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride

4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride (PubChem CID 105361039) has the molecular formula C11H12ClF2NO4S2 and a molecular weight of 359.80 g/mol. Its IUPAC name is 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride
PubChem CID105361039
Molecular FormulaC11H12ClF2NO4S2
Molecular Weight359.80 g/mol
Exact Mass358.99
IUPAC Name4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(NS(=O)(=O)C2CCCC2)c(F)c1
InChIInChI=1S/C11H12ClF2NO4S2/c12-20(16,17)8-5-9(13)11(10(14)6-8)15-21(18,19)7-3-1-2-4-7/h5-7,15H,1-4H2
InChIKeyNYMICJUYPWJFQY-UHFFFAOYSA-N
XLogP2.58
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride (CID 105361039) is 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)c(NS(=O)(=O)C2CCCC2)c(F)c1.
What is the InChIKey of 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is NYMICJUYPWJFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO4S2/c12-20(16,17)8-5-9(13)11(10(14)6-8)15-21(18,19)7-3-1-2-4-7/h5-7,15H,1-4H2.
What are the key properties of 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride?
4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride has a molecular weight of 359.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 105361039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).