5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide

C19H23BrN2O4S — CID 17350006

IUPAC5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-4-5-12-26-18-11-6-14(20)13-17(18)19(23)21-15-7-9-16(10-8-15)27(24,25)22(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyKBDHIYIRSGNROJ-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.13
Rot. Bonds8

About 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide

5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide (PubChem CID 17350006) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
PubChem CID17350006
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-4-5-12-26-18-11-6-14(20)13-17(18)19(23)21-15-7-9-16(10-8-15)27(24,25)22(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyKBDHIYIRSGNROJ-UHFFFAOYSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 17349929
5-bromo-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 17352047
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 4942085
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350783
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide (CID 17350006) is 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The InChIKey is KBDHIYIRSGNROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-4-5-12-26-18-11-6-14(20)13-17(18)19(23)21-15-7-9-16(10-8-15)27(24,25)22(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,23).
What are the key properties of 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide has a molecular weight of 455.37 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17350006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).