N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide

C14H20FNO3S — CID 850035

IUPACN-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C14H20FNO3S/c1-19-13-9-8-11(15)10-14(13)20(17,18)16-12-6-4-2-3-5-7-12/h8-10,12,16H,2-7H2,1H3
InChIKeyBWYHINPNXXFHJG-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.84
Rot. Bonds4

About N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide

N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 850035) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID850035
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C14H20FNO3S/c1-19-13-9-8-11(15)10-14(13)20(17,18)16-12-6-4-2-3-5-7-12/h8-10,12,16H,2-7H2,1H3
InChIKeyBWYHINPNXXFHJG-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide (CID 850035) is N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is BWYHINPNXXFHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-19-13-9-8-11(15)10-14(13)20(17,18)16-12-6-4-2-3-5-7-12/h8-10,12,16H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide?
N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 850035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).