N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide

C12H14BrClFNO2S — CID 105400699

IUPACN-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H14BrClFNO2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h3,6-8,10,16H,1-2,4-5H2
InChIKeyWTCXHSOSWQELIA-UHFFFAOYSA-N
MW370.67 g/mol
LogP3.46
Rot. Bonds3

About N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide

N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105400699) has the molecular formula C12H14BrClFNO2S and a molecular weight of 370.67 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105400699
Molecular FormulaC12H14BrClFNO2S
Molecular Weight370.67 g/mol
Exact Mass368.96
IUPAC NameN-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H14BrClFNO2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h3,6-8,10,16H,1-2,4-5H2
InChIKeyWTCXHSOSWQELIA-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105400699) is N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide is O=S(=O)(NC1CCC(Br)CC1)c1cc(F)ccc1Cl.
What is the InChIKey of N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is WTCXHSOSWQELIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h3,6-8,10,16H,1-2,4-5H2.
What are the key properties of N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 370.67 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).