3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide

C14H20BrNO3S — CID 1306808

IUPAC3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1Br
InChIInChI=1S/C14H20BrNO3S/c1-19-14-9-8-12(10-13(14)15)20(17,18)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeyRYEXMOFNMBRNNS-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.46
Rot. Bonds4

About 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide

3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide (PubChem CID 1306808) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide
PubChem CID1306808
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1Br
InChIInChI=1S/C14H20BrNO3S/c1-19-14-9-8-12(10-13(14)15)20(17,18)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeyRYEXMOFNMBRNNS-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide (CID 1306808) is 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide?
The InChIKey is RYEXMOFNMBRNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-19-14-9-8-12(10-13(14)15)20(17,18)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3.
What are the key properties of 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide?
3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1306808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).