5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H16BrFN2O3S — CID 116530422

IUPAC5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2(O)CCCC2)c(F)cc1Br
InChIInChI=1S/C12H16BrFN2O3S/c13-8-5-9(14)11(6-10(8)15)20(18,19)16-7-12(17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2
InChIKeySHJOJFCOYLSTBJ-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.75
Rot. Bonds4

About 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 116530422) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID116530422
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC Name5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2(O)CCCC2)c(F)cc1Br
InChIInChI=1S/C12H16BrFN2O3S/c13-8-5-9(14)11(6-10(8)15)20(18,19)16-7-12(17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2
InChIKeySHJOJFCOYLSTBJ-UHFFFAOYSA-N
XLogP1.75
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N-[(1-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 114626267
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65110234
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
5-amino-4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 114625964
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
5-amino-4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 114625986
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123084
3-amino-4-bromo-5-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 103077726
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide
CID 116791950
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide
CID 116530612

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 116530422) is 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is Nc1cc(S(=O)(=O)NCC2(O)CCCC2)c(F)cc1Br.
What is the InChIKey of 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is SHJOJFCOYLSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c13-8-5-9(14)11(6-10(8)15)20(18,19)16-7-12(17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2.
What are the key properties of 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 367.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 116530422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).