5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide

C11H16BrN3O3S — CID 107908922

IUPAC5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)CCCCBr)c1
InChIInChI=1S/C11H16BrN3O3S/c12-7-2-1-6-11(16)14-9-4-3-5-10(8-9)15-19(13,17)18/h3-5,8,15H,1-2,6-7H2,(H,14,16)(H2,13,17,18)
InChIKeyGEVPTFGEWQTWQM-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.81
Rot. Bonds7

About 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide

5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide (PubChem CID 107908922) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide
PubChem CID107908922
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)CCCCBr)c1
InChIInChI=1S/C11H16BrN3O3S/c12-7-2-1-6-11(16)14-9-4-3-5-10(8-9)15-19(13,17)18/h3-5,8,15H,1-2,6-7H2,(H,14,16)(H2,13,17,18)
InChIKeyGEVPTFGEWQTWQM-UHFFFAOYSA-N
XLogP1.81
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.81
H-Bond Donors ≤ 53
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

3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
3-(5-bromopentanoylamino)benzoic acid
CID 107908251
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide
CID 55558986
2-(2-aminoethoxy)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 79473135
7-bromo-N-phenylheptanamide
CID 11266084
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
2-(oxolan-2-yl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 47211352
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide (CID 107908922) is 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide is NS(=O)(=O)Nc1cccc(NC(=O)CCCCBr)c1.
What is the InChIKey of 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide?
The InChIKey is GEVPTFGEWQTWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c12-7-2-1-6-11(16)14-9-4-3-5-10(8-9)15-19(13,17)18/h3-5,8,15H,1-2,6-7H2,(H,14,16)(H2,13,17,18).
What are the key properties of 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide?
5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide has a molecular weight of 350.24 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide is sourced from PubChem (CID 107908922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).