5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C26H29BrN2O5S — CID 17343317

IUPAC5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29BrN2O5S/c1-3-4-5-6-17-34-25-16-7-19(27)18-24(25)26(30)28-20-10-14-23(15-11-20)35(31,32)29-21-8-12-22(33-2)13-9-21/h7-16,18,29H,3-6,17H2,1-2H3,(H,28,30)
InChIKeyJWGIHABMAHRLEW-UHFFFAOYSA-N
MW561.50 g/mol
LogP6.47
Rot. Bonds12

About 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17343317) has the molecular formula C26H29BrN2O5S and a molecular weight of 561.50 g/mol. Its IUPAC name is 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID17343317
Molecular FormulaC26H29BrN2O5S
Molecular Weight561.50 g/mol
Exact Mass560.10
IUPAC Name5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29BrN2O5S/c1-3-4-5-6-17-34-25-16-7-19(27)18-24(25)26(30)28-20-10-14-23(15-11-20)35(31,32)29-21-8-12-22(33-2)13-9-21/h7-16,18,29H,3-6,17H2,1-2H3,(H,28,30)
InChIKeyJWGIHABMAHRLEW-UHFFFAOYSA-N
XLogP6.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.50
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352919
5-bromo-2-(2-methoxyethoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17357443
5-bromo-2-butoxy-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17350442
5-bromo-2-hexoxy-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17343609
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 17343317) is 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is CCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is JWGIHABMAHRLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN2O5S/c1-3-4-5-6-17-34-25-16-7-19(27)18-24(25)26(30)28-20-10-14-23(15-11-20)35(31,32)29-21-8-12-22(33-2)13-9-21/h7-16,18,29H,3-6,17H2,1-2H3,(H,28,30).
What are the key properties of 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 561.50 g/mol, XLogP of 6.47, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17343317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).