N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide

C15H14BrN3O4S — CID 1272823

IUPACN-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrN3O4S/c1-10(20)17-13-5-7-14(8-6-13)24(22,23)19-18-15(21)11-3-2-4-12(16)9-11/h2-9,19H,1H3,(H,17,20)(H,18,21)
InChIKeyHSYNIMFOVZOETP-UHFFFAOYSA-N
MW412.27 g/mol
LogP2.03
Rot. Bonds5

About N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide

N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide (PubChem CID 1272823) has the molecular formula C15H14BrN3O4S and a molecular weight of 412.27 g/mol. Its IUPAC name is N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide
PubChem CID1272823
Molecular FormulaC15H14BrN3O4S
Molecular Weight412.27 g/mol
Exact Mass410.99
IUPAC NameN-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrN3O4S/c1-10(20)17-13-5-7-14(8-6-13)24(22,23)19-18-15(21)11-3-2-4-12(16)9-11/h2-9,19H,1H3,(H,17,20)(H,18,21)
InChIKeyHSYNIMFOVZOETP-UHFFFAOYSA-N
XLogP2.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 52.03
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'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
N-[4-(3-bromobenzoyl)phenyl]acetamide
CID 43337929
N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide
CID 118706841
3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide
CID 2692792
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide (CID 1272823) is N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide?
The InChIKey is HSYNIMFOVZOETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O4S/c1-10(20)17-13-5-7-14(8-6-13)24(22,23)19-18-15(21)11-3-2-4-12(16)9-11/h2-9,19H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide?
N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide has a molecular weight of 412.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1272823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).