5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide

C12H17BrN2O3S — CID 107908940

IUPAC5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CCCCBr
InChIInChI=1S/C12H17BrN2O3S/c1-9-5-6-10(19(14,17)18)8-11(9)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyPQRORWHPWQWRST-UHFFFAOYSA-N
MW349.25 g/mol
LogP2.15
Rot. Bonds6

About 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide

5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide (PubChem CID 107908940) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
PubChem CID107908940
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CCCCBr
InChIInChI=1S/C12H17BrN2O3S/c1-9-5-6-10(19(14,17)18)8-11(9)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyPQRORWHPWQWRST-UHFFFAOYSA-N
XLogP2.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
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

2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
CID 61130308
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
CID 61130686
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide (CID 107908940) is 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide?
The InChIKey is PQRORWHPWQWRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-9-5-6-10(19(14,17)18)8-11(9)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide?
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide has a molecular weight of 349.25 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 107908940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).