N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide

C13H17ClFNO2S — CID 106367588

IUPACN-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CCCC1CCl
InChIInChI=1S/C13H17ClFNO2S/c1-9-5-6-11(15)7-13(9)19(17,18)16-12-4-2-3-10(12)8-14/h5-7,10,12,16H,2-4,8H2,1H3
InChIKeyGVOUVHFZZMILGS-UHFFFAOYSA-N
MW305.80 g/mol
LogP2.82
Rot. Bonds4

About N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide

N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 106367588) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID106367588
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CCCC1CCl
InChIInChI=1S/C13H17ClFNO2S/c1-9-5-6-11(15)7-13(9)19(17,18)16-12-4-2-3-10(12)8-14/h5-7,10,12,16H,2-4,8H2,1H3
InChIKeyGVOUVHFZZMILGS-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978973
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide (CID 106367588) is N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is GVOUVHFZZMILGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c1-9-5-6-11(15)7-13(9)19(17,18)16-12-4-2-3-10(12)8-14/h5-7,10,12,16H,2-4,8H2,1H3.
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 305.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 106367588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).