3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide

C16H17BrN2O4S — CID 17192407

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O4S/c1-23-14-4-2-3-13(11-14)19-16(20)9-10-18-24(21,22)15-7-5-12(17)6-8-15/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyFFEAESDOQZIAMO-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.76
Rot. Bonds7

About 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide (PubChem CID 17192407) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
PubChem CID17192407
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O4S/c1-23-14-4-2-3-13(11-14)19-16(20)9-10-18-24(21,22)15-7-5-12(17)6-8-15/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyFFEAESDOQZIAMO-UHFFFAOYSA-N
XLogP2.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 17192578
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211041
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide (CID 17192407) is 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is FFEAESDOQZIAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-23-14-4-2-3-13(11-14)19-16(20)9-10-18-24(21,22)15-7-5-12(17)6-8-15/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 413.29 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 17192407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).