5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide

C14H21BrN2O3S — CID 103601676

IUPAC5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
SMILESCc1ccc(NC(=O)CCCCBr)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H21BrN2O3S/c1-11-7-8-12(16-14(18)6-4-5-9-15)10-13(11)21(19,20)17(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyDCAJGNSGUFZKAJ-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.75
Rot. Bonds7

About 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide

5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide (PubChem CID 103601676) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
PubChem CID103601676
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
SMILESCc1ccc(NC(=O)CCCCBr)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H21BrN2O3S/c1-11-7-8-12(16-14(18)6-4-5-9-15)10-13(11)21(19,20)17(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyDCAJGNSGUFZKAJ-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
4-bromo-N-[3-[3-(dimethylsulfamoyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 26774195
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
4-[[3-(dimethylsulfamoyl)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122073881
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
4-O-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506458
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide?
The IUPAC name of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide (CID 103601676) is 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide is Cc1ccc(NC(=O)CCCCBr)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide?
The InChIKey is DCAJGNSGUFZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-11-7-8-12(16-14(18)6-4-5-9-15)10-13(11)21(19,20)17(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide?
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide has a molecular weight of 377.30 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide is sourced from PubChem (CID 103601676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).