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

C16H17BrN2O3S2 — CID 42369215

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S2/c1-23-14-6-4-13(5-7-14)19-16(20)10-11-18-24(21,22)15-8-2-12(17)3-9-15/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyPVKHCKNJPDVQQZ-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.48
Rot. Bonds7

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

3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 42369215) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
PubChem CID42369215
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S2/c1-23-14-6-4-13(5-7-14)19-16(20)10-11-18-24(21,22)15-8-2-12(17)3-9-15/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyPVKHCKNJPDVQQZ-UHFFFAOYSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369414
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 27365344
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide (CID 42369215) is 3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is PVKHCKNJPDVQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c1-23-14-6-4-13(5-7-14)19-16(20)10-11-18-24(21,22)15-8-2-12(17)3-9-15/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 429.36 g/mol, XLogP of 3.48, 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-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 42369215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).