3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide

C16H17BrN2O4S — CID 55768562

IUPAC3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)ccc1Br
InChIInChI=1S/C16H17BrN2O4S/c1-11-10-12(6-7-13(11)17)24(21,22)19-14-4-2-3-5-15(14)23-9-8-16(18)20/h2-7,10,19H,8-9H2,1H3,(H2,18,20)
InChIKeyKWICMRZTCGRNLT-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.81
Rot. Bonds7

About 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide

3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide (PubChem CID 55768562) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide
PubChem CID55768562
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)ccc1Br
InChIInChI=1S/C16H17BrN2O4S/c1-11-10-12(6-7-13(11)17)24(21,22)19-14-4-2-3-5-15(14)23-9-8-16(18)20/h2-7,10,19H,8-9H2,1H3,(H2,18,20)
InChIKeyKWICMRZTCGRNLT-UHFFFAOYSA-N
XLogP2.81
TPSA98.49 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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
CID 60534328
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
CID 83084188
2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
CID 43715705
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 55881745
4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 60723660
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
methyl 4-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methylbenzoate
CID 24651251

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide (CID 55768562) is 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide is Cc1cc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)ccc1Br.
What is the InChIKey of 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide?
The InChIKey is KWICMRZTCGRNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-11-10-12(6-7-13(11)17)24(21,22)19-14-4-2-3-5-15(14)23-9-8-16(18)20/h2-7,10,19H,8-9H2,1H3,(H2,18,20).
What are the key properties of 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide?
3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide has a molecular weight of 413.29 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide is sourced from PubChem (CID 55768562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).