4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H17BrFNO3S — CID 106126987

IUPAC4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFNO3S/c14-12-6-5-11(7-13(12)15)20(18,19)16-8-9-1-3-10(17)4-2-9/h5-7,9-10,16-17H,1-4,8H2
InChIKeyGVHXWKYEFYIKGC-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.42
Rot. Bonds4

About 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide

4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 106126987) has the molecular formula C13H17BrFNO3S and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID106126987
Molecular FormulaC13H17BrFNO3S
Molecular Weight366.25 g/mol
Exact Mass365.01
IUPAC Name4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFNO3S/c14-12-6-5-11(7-13(12)15)20(18,19)16-8-9-1-3-10(17)4-2-9/h5-7,9-10,16-17H,1-4,8H2
InChIKeyGVHXWKYEFYIKGC-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 113242600
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126597
4-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 103697427
2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126545
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 115329563
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 106126987) is 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCC(O)CC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is GVHXWKYEFYIKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3S/c14-12-6-5-11(7-13(12)15)20(18,19)16-8-9-1-3-10(17)4-2-9/h5-7,9-10,16-17H,1-4,8H2.
What are the key properties of 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 366.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106126987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).