N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide

C16H18BrN3O3S — CID 118706948

IUPACN-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrN3O3S/c1-2-3-16(21)18-13-8-10-15(11-9-13)24(22,23)20-19-14-6-4-12(17)5-7-14/h4-11,19-20H,2-3H2,1H3,(H,18,21)
InChIKeyOSOZIMKAUGFLIM-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.49
Rot. Bonds7

About N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide

N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide (PubChem CID 118706948) has the molecular formula C16H18BrN3O3S and a molecular weight of 412.31 g/mol. Its IUPAC name is N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide
PubChem CID118706948
Molecular FormulaC16H18BrN3O3S
Molecular Weight412.31 g/mol
Exact Mass411.03
IUPAC NameN-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrN3O3S/c1-2-3-16(21)18-13-8-10-15(11-9-13)24(22,23)20-19-14-6-4-12(17)5-7-14/h4-11,19-20H,2-3H2,1H3,(H,18,21)
InChIKeyOSOZIMKAUGFLIM-UHFFFAOYSA-N
XLogP3.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide (CID 118706948) is N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide?
The InChIKey is OSOZIMKAUGFLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3S/c1-2-3-16(21)18-13-8-10-15(11-9-13)24(22,23)20-19-14-6-4-12(17)5-7-14/h4-11,19-20H,2-3H2,1H3,(H,18,21).
What are the key properties of N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide?
N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide has a molecular weight of 412.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromoanilino)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 118706948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).