2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

C13H16Cl2FNO3S — CID 103088583

IUPAC2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1CO)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C13H16Cl2FNO3S/c14-10-4-5-11(12(15)13(10)16)21(19,20)17-6-8-2-1-3-9(8)7-18/h4-5,8-9,17-18H,1-3,6-7H2
InChIKeyJUISXPGDVMHWMK-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.82
Rot. Bonds5

About 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 103088583) has the molecular formula C13H16Cl2FNO3S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
PubChem CID103088583
Molecular FormulaC13H16Cl2FNO3S
Molecular Weight356.25 g/mol
Exact Mass355.02
IUPAC Name2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1CO)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C13H16Cl2FNO3S/c14-10-4-5-11(12(15)13(10)16)21(19,20)17-6-8-2-1-3-9(8)7-18/h4-5,8-9,17-18H,1-3,6-7H2
InChIKeyJUISXPGDVMHWMK-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120711122
4-bromo-2-fluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 116527739
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
CID 103088944
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
4-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-5-sulfonamide
CID 106314920
2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 103088990
2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
CID 106596107
N-[(1-aminocyclohexyl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088835

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (CID 103088583) is 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCCC1CO)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is JUISXPGDVMHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FNO3S/c14-10-4-5-11(12(15)13(10)16)21(19,20)17-6-8-2-1-3-9(8)7-18/h4-5,8-9,17-18H,1-3,6-7H2.
What are the key properties of 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 103088583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).