N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide

C15H21F2NO4S2 — CID 34030252

IUPACN-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H21F2NO4S2/c16-15(17)23(19,20)13-8-10-14(11-9-13)24(21,22)18-12-6-4-2-1-3-5-7-12/h8-12,15,18H,1-7H2
InChIKeyBASROHRNJYFGCI-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.07
Rot. Bonds5

About N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide

N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide (PubChem CID 34030252) has the molecular formula C15H21F2NO4S2 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide
PubChem CID34030252
Molecular FormulaC15H21F2NO4S2
Molecular Weight381.47 g/mol
Exact Mass381.09
IUPAC NameN-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H21F2NO4S2/c16-15(17)23(19,20)13-8-10-14(11-9-13)24(21,22)18-12-6-4-2-1-3-5-7-12/h8-12,15,18H,1-7H2
InChIKeyBASROHRNJYFGCI-UHFFFAOYSA-N
XLogP3.07
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide?
The IUPAC name of N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide (CID 34030252) is N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide?
The InChIKey is BASROHRNJYFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO4S2/c16-15(17)23(19,20)13-8-10-14(11-9-13)24(21,22)18-12-6-4-2-1-3-5-7-12/h8-12,15,18H,1-7H2.
What are the key properties of N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide?
N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide has a molecular weight of 381.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 34030252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).