2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride

C14H18ClNO3S — CID 65366845

IUPAC2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)cc1C(=O)N1CCCCC1
InChIInChI=1S/C14H18ClNO3S/c1-10-8-11(2)13(20(15,18)19)9-12(10)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyIQBHRRJYIYKKEI-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.86
Rot. Bonds2

About 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride

2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65366845) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65366845
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)cc1C(=O)N1CCCCC1
InChIInChI=1S/C14H18ClNO3S/c1-10-8-11(2)13(20(15,18)19)9-12(10)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyIQBHRRJYIYKKEI-UHFFFAOYSA-N
XLogP2.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride (CID 65366845) is 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride is Cc1cc(C)c(S(=O)(=O)Cl)cc1C(=O)N1CCCCC1.
What is the InChIKey of 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is IQBHRRJYIYKKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-10-8-11(2)13(20(15,18)19)9-12(10)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride?
2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65366845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).