5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride

C13H12Cl3NO3S — CID 65371965

IUPAC5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride
SMILESO=C(c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1)N1CC2CCC1C2
InChIInChI=1S/C13H12Cl3NO3S/c14-10-4-8(5-11(12(10)15)21(16,19)20)13(18)17-6-7-1-2-9(17)3-7/h4-5,7,9H,1-3,6H2
InChIKeyRLRQAIDYPFLBSM-UHFFFAOYSA-N
MW368.67 g/mol
LogP3.55
Rot. Bonds2

About 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride

5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride (PubChem CID 65371965) has the molecular formula C13H12Cl3NO3S and a molecular weight of 368.67 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride
PubChem CID65371965
Molecular FormulaC13H12Cl3NO3S
Molecular Weight368.67 g/mol
Exact Mass366.96
IUPAC Name5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride
SMILESO=C(c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1)N1CC2CCC1C2
InChIInChI=1S/C13H12Cl3NO3S/c14-10-4-8(5-11(12(10)15)21(16,19)20)13(18)17-6-7-1-2-9(17)3-7/h4-5,7,9H,1-3,6H2
InChIKeyRLRQAIDYPFLBSM-UHFFFAOYSA-N
XLogP3.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride (CID 65371965) is 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride is O=C(c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1)N1CC2CCC1C2.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride?
The InChIKey is RLRQAIDYPFLBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NO3S/c14-10-4-8(5-11(12(10)15)21(16,19)20)13(18)17-6-7-1-2-9(17)3-7/h4-5,7,9H,1-3,6H2.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride?
5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride has a molecular weight of 368.67 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 65371965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).