4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide

C13H15BrF3NO4S — CID 58344243

IUPAC4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H15BrF3NO4S/c14-8-1-6-12(11(7-8)22-13(15,16)17)23(20,21)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,18-19H,2-5H2
InChIKeySNAHRKAWTDRZDX-UHFFFAOYSA-N
MW418.23 g/mol
LogP2.93
Rot. Bonds4

About 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide

4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 58344243) has the molecular formula C13H15BrF3NO4S and a molecular weight of 418.23 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID58344243
Molecular FormulaC13H15BrF3NO4S
Molecular Weight418.23 g/mol
Exact Mass416.99
IUPAC Name4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H15BrF3NO4S/c14-8-1-6-12(11(7-8)22-13(15,16)17)23(20,21)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,18-19H,2-5H2
InChIKeySNAHRKAWTDRZDX-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.23
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 84599198
4-Bromo-N-(4-hydroxybutyl)-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 16094723
N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 67134495
4-bromo-N-cyclopropyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68475204
4-bromo-N-ethyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68481084
4-bromo-N-isopropyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68481891
4-bromo-N-(cyclopropylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 68483545
4-bromo-N-propyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68483590
4-bromo-N-cyclobutyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68485410
trans-n-(4-Amino-cyclohexyl)-4-bromo-2-trifluoromethoxy-benzenesulfonamide
CID 68850530
trans-N-(4-aminomethyl-cyclohexylmethyl)-4-bromo-2-trifluoromethoxy-benzenesulfonamide
CID 68850536
4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide
CID 69167595

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 58344243) is 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCC(O)CC1)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SNAHRKAWTDRZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO4S/c14-8-1-6-12(11(7-8)22-13(15,16)17)23(20,21)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,18-19H,2-5H2.
What are the key properties of 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 418.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 58344243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).