2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide

C13H20BrNO3S — CID 82827167

IUPAC2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
SMILESCCCC(COCc1ccc(Br)cc1)CS(N)(=O)=O
InChIInChI=1S/C13H20BrNO3S/c1-2-3-12(10-19(15,16)17)9-18-8-11-4-6-13(14)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H2,15,16,17)
InChIKeyVSDGNELJLWKVHV-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.67
Rot. Bonds8

About 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide

2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide (PubChem CID 82827167) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
PubChem CID82827167
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
SMILESCCCC(COCc1ccc(Br)cc1)CS(N)(=O)=O
InChIInChI=1S/C13H20BrNO3S/c1-2-3-12(10-19(15,16)17)9-18-8-11-4-6-13(14)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H2,15,16,17)
InChIKeyVSDGNELJLWKVHV-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

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Related Compounds

2-[(4-bromophenyl)methoxymethyl]butane-1-sulfonamide
CID 82827482
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
2-[(4-bromophenoxy)methyl]pentane-1-sulfonamide
CID 65013265
3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide
CID 82827251
2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
CID 65013118
2-[(4-fluorophenoxy)methyl]pentane-1-sulfonamide
CID 65012609
2-[(2-bromo-4-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012663
2-[(4-bromophenyl)methyl]pentan-1-amine
CID 62505880
2-amino-3-[(4-bromophenyl)methoxy]propanamide
CID 82827712
2-[(2,4,5-trichlorophenoxy)methyl]pentane-1-sulfonamide
CID 65013064
1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 162724189
3-(phenylmethoxymethyl)hexanoic acid
CID 174921830

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide?
The IUPAC name of 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide (CID 82827167) is 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide?
The canonical SMILES for 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide is CCCC(COCc1ccc(Br)cc1)CS(N)(=O)=O.
What is the InChIKey of 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide?
The InChIKey is VSDGNELJLWKVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3S/c1-2-3-12(10-19(15,16)17)9-18-8-11-4-6-13(14)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide?
2-[(4-bromophenyl)methoxymethyl]pentane-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 2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide is sourced from PubChem (CID 82827167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).