5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide

C14H20BrNO3S — CID 1290937

IUPAC5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H20BrNO3S/c1-2-19-13-9-8-11(15)10-14(13)20(17,18)16-12-6-4-3-5-7-12/h8-10,12,16H,2-7H2,1H3
InChIKeyPZBGJVFUWBENKB-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.46
Rot. Bonds5

About 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide

5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide (PubChem CID 1290937) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide
PubChem CID1290937
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H20BrNO3S/c1-2-19-13-9-8-11(15)10-14(13)20(17,18)16-12-6-4-3-5-7-12/h8-10,12,16H,2-7H2,1H3
InChIKeyPZBGJVFUWBENKB-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide (CID 1290937) is 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide?
The InChIKey is PZBGJVFUWBENKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-2-19-13-9-8-11(15)10-14(13)20(17,18)16-12-6-4-3-5-7-12/h8-10,12,16H,2-7H2,1H3.
What are the key properties of 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide?
5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 1290937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).