N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide

C10H12BrNO3S — CID 167789638

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1cc(OC)ccc1Br
InChIInChI=1S/C10H12BrNO3S/c1-3-16(13,14)12-7-8-6-9(15-2)4-5-10(8)11/h3-6,12H,1,7H2,2H3
InChIKeyQRVZTADMILFELK-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.02
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide

N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide (PubChem CID 167789638) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide
PubChem CID167789638
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1cc(OC)ccc1Br
InChIInChI=1S/C10H12BrNO3S/c1-3-16(13,14)12-7-8-6-9(15-2)4-5-10(8)11/h3-6,12H,1,7H2,2H3
InChIKeyQRVZTADMILFELK-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide
CID 167872887
(E)-N-[(2-bromo-5-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115751591
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
N-[(2-bromo-5-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 65323575
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide
CID 119297083
N-[(2-bromo-5-methoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527878
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585589
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
CID 65323672
methyl 2-[(2-bromo-5-methoxyphenyl)methylamino]propanoate
CID 65323693
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide (CID 167789638) is N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide is C=CS(=O)(=O)NCc1cc(OC)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide?
The InChIKey is QRVZTADMILFELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-3-16(13,14)12-7-8-6-9(15-2)4-5-10(8)11/h3-6,12H,1,7H2,2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide?
N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide has a molecular weight of 306.18 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide is sourced from PubChem (CID 167789638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).