2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide

C10H11BrF2N2O4S — CID 51132083

IUPAC2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(=O)C(F)(F)Br)ccc1NS(C)(=O)=O
InChIInChI=1S/C10H11BrF2N2O4S/c1-19-8-5-6(14-9(16)10(11,12)13)3-4-7(8)15-20(2,17)18/h3-5,15H,1-2H3,(H,14,16)
InChIKeyVKOWPGCWHASEBL-UHFFFAOYSA-N
MW373.18 g/mol
LogP1.99
Rot. Bonds5

About 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide

2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide (PubChem CID 51132083) has the molecular formula C10H11BrF2N2O4S and a molecular weight of 373.18 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
PubChem CID51132083
Molecular FormulaC10H11BrF2N2O4S
Molecular Weight373.18 g/mol
Exact Mass371.96
IUPAC Name2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(=O)C(F)(F)Br)ccc1NS(C)(=O)=O
InChIInChI=1S/C10H11BrF2N2O4S/c1-19-8-5-6(14-9(16)10(11,12)13)3-4-7(8)15-20(2,17)18/h3-5,15H,1-2H3,(H,14,16)
InChIKeyVKOWPGCWHASEBL-UHFFFAOYSA-N
XLogP1.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.18
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60509557
dimethyl (E)-2-[4-(methanesulfonamido)-3-methoxyanilino]but-2-enedioate
CID 168565971
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide
CID 120985632
2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide
CID 112826811
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
CID 37257828
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 55635947
5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide
CID 60509529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide (CID 51132083) is 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide is COc1cc(NC(=O)C(F)(F)Br)ccc1NS(C)(=O)=O.
What is the InChIKey of 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide?
The InChIKey is VKOWPGCWHASEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O4S/c1-19-8-5-6(14-9(16)10(11,12)13)3-4-7(8)15-20(2,17)18/h3-5,15H,1-2H3,(H,14,16).
What are the key properties of 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide?
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide has a molecular weight of 373.18 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide is sourced from PubChem (CID 51132083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).