3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide

C12H15BrClFN2O2S — CID 103077140

IUPAC3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
SMILESNc1c(F)c(S(=O)(=O)NC2CCCCC2)cc(Cl)c1Br
InChIInChI=1S/C12H15BrClFN2O2S/c13-10-8(14)6-9(11(15)12(10)16)20(18,19)17-7-4-2-1-3-5-7/h6-7,17H,1-5,16H2
InChIKeyPRGMMLRCZMZYEW-UHFFFAOYSA-N
MW385.69 g/mol
LogP3.43
Rot. Bonds3

About 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide

3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide (PubChem CID 103077140) has the molecular formula C12H15BrClFN2O2S and a molecular weight of 385.69 g/mol. Its IUPAC name is 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
PubChem CID103077140
Molecular FormulaC12H15BrClFN2O2S
Molecular Weight385.69 g/mol
Exact Mass383.97
IUPAC Name3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
SMILESNc1c(F)c(S(=O)(=O)NC2CCCCC2)cc(Cl)c1Br
InChIInChI=1S/C12H15BrClFN2O2S/c13-10-8(14)6-9(11(15)12(10)16)20(18,19)17-7-4-2-1-3-5-7/h6-7,17H,1-5,16H2
InChIKeyPRGMMLRCZMZYEW-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide (CID 103077140) is 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide is Nc1c(F)c(S(=O)(=O)NC2CCCCC2)cc(Cl)c1Br.
What is the InChIKey of 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The InChIKey is PRGMMLRCZMZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O2S/c13-10-8(14)6-9(11(15)12(10)16)20(18,19)17-7-4-2-1-3-5-7/h6-7,17H,1-5,16H2.
What are the key properties of 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide has a molecular weight of 385.69 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103077140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).