2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide

C14H20BrNO3S — CID 61059078

IUPAC2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOC2CCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO3S/c1-11-6-7-14(13(15)10-11)20(17,18)16-8-9-19-12-4-2-3-5-12/h6-7,10,12,16H,2-5,8-9H2,1H3
InChIKeyHBSAYTCSJOGSDO-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.00
Rot. Bonds6

About 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide

2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide (PubChem CID 61059078) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
PubChem CID61059078
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOC2CCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO3S/c1-11-6-7-14(13(15)10-11)20(17,18)16-8-9-19-12-4-2-3-5-12/h6-7,10,12,16H,2-5,8-9H2,1H3
InChIKeyHBSAYTCSJOGSDO-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63824064
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide
CID 32679937
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylbenzenesulfonamide
CID 103081891
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723543
2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63871828
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide (CID 61059078) is 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOC2CCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is HBSAYTCSJOGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-11-6-7-14(13(15)10-11)20(17,18)16-8-9-19-12-4-2-3-5-12/h6-7,10,12,16H,2-5,8-9H2,1H3.
What are the key properties of 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide?
2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 61059078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).