3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride

C10H10ClF2NO4S — CID 103513534

IUPAC3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1CNC(=O)C(F)F
InChIInChI=1S/C10H10ClF2NO4S/c1-18-8-3-2-7(19(11,16)17)4-6(8)5-14-10(15)9(12)13/h2-4,9H,5H2,1H3,(H,14,15)
InChIKeyWHZSUXIVJNYYII-UHFFFAOYSA-N
MW313.71 g/mol
LogP1.50
Rot. Bonds5

About 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride

3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride (PubChem CID 103513534) has the molecular formula C10H10ClF2NO4S and a molecular weight of 313.71 g/mol. Its IUPAC name is 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride
PubChem CID103513534
Molecular FormulaC10H10ClF2NO4S
Molecular Weight313.71 g/mol
Exact Mass313.00
IUPAC Name3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1CNC(=O)C(F)F
InChIInChI=1S/C10H10ClF2NO4S/c1-18-8-3-2-7(19(11,16)17)4-6(8)5-14-10(15)9(12)13/h2-4,9H,5H2,1H3,(H,14,15)
InChIKeyWHZSUXIVJNYYII-UHFFFAOYSA-N
XLogP1.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
2-[(2-methoxy-5-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185960
3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 8511792
3-(2-cyclopropylpropanoylamino)-4-methoxybenzenesulfonyl chloride
CID 83153776

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride (CID 103513534) is 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)C(F)F.
What is the InChIKey of 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride?
The InChIKey is WHZSUXIVJNYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO4S/c1-18-8-3-2-7(19(11,16)17)4-6(8)5-14-10(15)9(12)13/h2-4,9H,5H2,1H3,(H,14,15).
What are the key properties of 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride?
3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride has a molecular weight of 313.71 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 103513534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).