N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide

C16H16BrN3O4S — CID 1316272

IUPACN-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN3O4S/c1-11(21)19-13-4-6-14(7-5-13)20-16(22)10-18-25(23,24)15-8-2-12(17)3-9-15/h2-9,18H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCRCYFLDMXZMGNO-UHFFFAOYSA-N
MW426.29 g/mol
LogP2.32
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide

N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide (PubChem CID 1316272) has the molecular formula C16H16BrN3O4S and a molecular weight of 426.29 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
PubChem CID1316272
Molecular FormulaC16H16BrN3O4S
Molecular Weight426.29 g/mol
Exact Mass425.00
IUPAC NameN-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN3O4S/c1-11(21)19-13-4-6-14(7-5-13)20-16(22)10-18-25(23,24)15-8-2-12(17)3-9-15/h2-9,18H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCRCYFLDMXZMGNO-UHFFFAOYSA-N
XLogP2.32
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.29
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
CID 4857746
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 1316963
N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide
CID 118706841
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
N-(4-acetamidophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112999771
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide (CID 1316272) is N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide is CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide?
The InChIKey is CRCYFLDMXZMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4S/c1-11(21)19-13-4-6-14(7-5-13)20-16(22)10-18-25(23,24)15-8-2-12(17)3-9-15/h2-9,18H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide?
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide has a molecular weight of 426.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1316272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).