N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide

C16H16BrFN2O5S — CID 30668145

IUPACN-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1OC
InChIInChI=1S/C16H16BrFN2O5S/c1-9(21)19-13-6-10(4-5-12(13)18)20-26(22,23)16-8-15(25-3)14(24-2)7-11(16)17/h4-8,20H,1-3H3,(H,19,21)
InChIKeyVRFXDKSBPFZWHU-UHFFFAOYSA-N
MW447.28 g/mol
LogP3.36
Rot. Bonds6

About N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide

N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide (PubChem CID 30668145) has the molecular formula C16H16BrFN2O5S and a molecular weight of 447.28 g/mol. Its IUPAC name is N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
PubChem CID30668145
Molecular FormulaC16H16BrFN2O5S
Molecular Weight447.28 g/mol
Exact Mass445.99
IUPAC NameN-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1OC
InChIInChI=1S/C16H16BrFN2O5S/c1-9(21)19-13-6-10(4-5-12(13)18)20-26(22,23)16-8-15(25-3)14(24-2)7-11(16)17/h4-8,20H,1-3H3,(H,19,21)
InChIKeyVRFXDKSBPFZWHU-UHFFFAOYSA-N
XLogP3.36
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656740
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
CID 24656737
ethyl 4-[(3-acetamido-4-fluorophenyl)sulfamoyl]-3-bromobenzoate
CID 35536346
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
N-[4-[(2-fluorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 60527169
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114840621
N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306
2-bromo-N-[4-(dimethylamino)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 78809657

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide (CID 30668145) is N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide is COc1cc(Br)c(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1OC.
What is the InChIKey of N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The InChIKey is VRFXDKSBPFZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O5S/c1-9(21)19-13-6-10(4-5-12(13)18)20-26(22,23)16-8-15(25-3)14(24-2)7-11(16)17/h4-8,20H,1-3H3,(H,19,21).
What are the key properties of N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide has a molecular weight of 447.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 30668145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).