3-[(3-bromophenyl)methoxy]propane-1-sulfonamide

C10H14BrNO3S — CID 82826920

IUPAC3-[(3-bromophenyl)methoxy]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCOCc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO3S/c11-10-4-1-3-9(7-10)8-15-5-2-6-16(12,13)14/h1,3-4,7H,2,5-6,8H2,(H2,12,13,14)
InChIKeyDCYKQGWKLXHYRH-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.64
Rot. Bonds6

About 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide

3-[(3-bromophenyl)methoxy]propane-1-sulfonamide (PubChem CID 82826920) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]propane-1-sulfonamide
PubChem CID82826920
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name3-[(3-bromophenyl)methoxy]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCOCc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO3S/c11-10-4-1-3-9(7-10)8-15-5-2-6-16(12,13)14/h1,3-4,7H,2,5-6,8H2,(H2,12,13,14)
InChIKeyDCYKQGWKLXHYRH-UHFFFAOYSA-N
XLogP1.64
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.64
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-[(3-bromophenyl)methoxy]pentane-1-sulfonamide
CID 82826620
1-bromo-3-(3-chloropropoxymethyl)benzene
CID 82828412
1-bromo-3-(5-bromopentoxymethyl)benzene
CID 82828091
4-[(3-bromophenyl)methoxy]butane-1-thiol
CID 82826547
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 82827332
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
1-bromo-3-(4-methylpentoxymethyl)benzene
CID 55219648
1-bromo-3-(propoxymethyl)benzene
CID 57057286
2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide
CID 82826695
6-[(3-bromophenyl)methoxy]hexan-3-one
CID 106802152
9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide?
The IUPAC name of 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide (CID 82826920) is 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide is NS(=O)(=O)CCCOCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide?
The InChIKey is DCYKQGWKLXHYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c11-10-4-1-3-9(7-10)8-15-5-2-6-16(12,13)14/h1,3-4,7H,2,5-6,8H2,(H2,12,13,14).
What are the key properties of 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide?
3-[(3-bromophenyl)methoxy]propane-1-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]propane-1-sulfonamide is sourced from PubChem (CID 82826920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).