9-(3-bromophenoxy)nonane-1-sulfonamide

C15H24BrNO3S — CID 105343891

IUPAC9-(3-bromophenoxy)nonane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCCCCOc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3S/c16-14-9-8-10-15(13-14)20-11-6-4-2-1-3-5-7-12-21(17,18)19/h8-10,13H,1-7,11-12H2,(H2,17,18,19)
InChIKeyRHPAJHPGVIAGDC-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.85
Rot. Bonds11

About 9-(3-bromophenoxy)nonane-1-sulfonamide

9-(3-bromophenoxy)nonane-1-sulfonamide (PubChem CID 105343891) has the molecular formula C15H24BrNO3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 9-(3-bromophenoxy)nonane-1-sulfonamide.

Molecular Properties

Compound Name9-(3-bromophenoxy)nonane-1-sulfonamide
PubChem CID105343891
Molecular FormulaC15H24BrNO3S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name9-(3-bromophenoxy)nonane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCCCCOc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3S/c16-14-9-8-10-15(13-14)20-11-6-4-2-1-3-5-7-12-21(17,18)19/h8-10,13H,1-7,11-12H2,(H2,17,18,19)
InChIKeyRHPAJHPGVIAGDC-UHFFFAOYSA-N
XLogP3.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(3-bromophenoxy)nonane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-bromophenyl)methoxy]pentane-1-sulfonamide
CID 82826620
2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine
CID 28918551
5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
CID 65202502
3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
CID 174751701
1-bromo-3-(10,10,10-trifluorodecoxy)benzene
CID 151626696
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide
CID 82727709
1-bromo-3-hex-5-enoxybenzene
CID 146004224
3-[(3-bromophenyl)methoxy]propane-1-sulfonamide
CID 82826920
3-[2-(3-bromophenoxy)ethylsulfonyl]-2-methylaniline
CID 81191691
4-(3-bromophenoxy)butanethioamide
CID 24706403
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentane-1-sulfonamide
CID 102747732

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenoxy)nonane-1-sulfonamide?
The IUPAC name of 9-(3-bromophenoxy)nonane-1-sulfonamide (CID 105343891) is 9-(3-bromophenoxy)nonane-1-sulfonamide.
What is the SMILES notation for 9-(3-bromophenoxy)nonane-1-sulfonamide?
The canonical SMILES for 9-(3-bromophenoxy)nonane-1-sulfonamide is NS(=O)(=O)CCCCCCCCCOc1cccc(Br)c1.
What is the InChIKey of 9-(3-bromophenoxy)nonane-1-sulfonamide?
The InChIKey is RHPAJHPGVIAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3S/c16-14-9-8-10-15(13-14)20-11-6-4-2-1-3-5-7-12-21(17,18)19/h8-10,13H,1-7,11-12H2,(H2,17,18,19).
What are the key properties of 9-(3-bromophenoxy)nonane-1-sulfonamide?
9-(3-bromophenoxy)nonane-1-sulfonamide has a molecular weight of 378.33 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromophenoxy)nonane-1-sulfonamide is sourced from PubChem (CID 105343891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).