5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide

C13H20BrNO3S — CID 82827088

IUPAC5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide
SMILESCC(CCOCc1ccccc1Br)CCS(N)(=O)=O
InChIInChI=1S/C13H20BrNO3S/c1-11(7-9-19(15,16)17)6-8-18-10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3,(H2,15,16,17)
InChIKeyHHELRQVVLDPJTQ-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.67
Rot. Bonds8

About 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide

5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide (PubChem CID 82827088) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide
PubChem CID82827088
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide
SMILESCC(CCOCc1ccccc1Br)CCS(N)(=O)=O
InChIInChI=1S/C13H20BrNO3S/c1-11(7-9-19(15,16)17)6-8-18-10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3,(H2,15,16,17)
InChIKeyHHELRQVVLDPJTQ-UHFFFAOYSA-N
XLogP2.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.67
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

5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride
CID 82827249
6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride
CID 82826539
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
N-[2-[(2-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825030
5-(3-bromo-4-fluorophenoxy)-3-methylpentane-1-sulfonamide
CID 83234940
2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
CID 23325108
(2-bromophenyl)methyl (2S)-2-aminopropanoate
CID 82823528
1-bromo-2-[2-(3-methylbutoxy)ethyl]benzene
CID 91691606
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
CID 171578951
1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine
CID 106733914

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide?
The IUPAC name of 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide (CID 82827088) is 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide.
What is the SMILES notation for 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide?
The canonical SMILES for 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide is CC(CCOCc1ccccc1Br)CCS(N)(=O)=O.
What is the InChIKey of 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide?
The InChIKey is HHELRQVVLDPJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3S/c1-11(7-9-19(15,16)17)6-8-18-10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3,(H2,15,16,17).
What are the key properties of 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide?
5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide has a molecular weight of 350.28 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide is sourced from PubChem (CID 82827088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).