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

C14H14BrN3O3S — CID 118706841

IUPACN-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
InChIKeyDLOSSOASAIISHQ-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.71
Rot. Bonds5

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

N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide (PubChem CID 118706841) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide
PubChem CID118706841
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC NameN-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
InChIKeyDLOSSOASAIISHQ-UHFFFAOYSA-N
XLogP2.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.71
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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Related Compounds

N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
CID 4134405
N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 1272823
CID 57349684
CID 57349684
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea
CID 19133960
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
4-acetamidobenzenesulfonic acid chloride
CID 53446633

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide (CID 118706841) is N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide?
The InChIKey is DLOSSOASAIISHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19).
What are the key properties of N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide?
N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide has a molecular weight of 384.26 g/mol, XLogP of 2.71, 5 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]acetamide is sourced from PubChem (CID 118706841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).