N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide

C16H15F2NO5S — CID 2671265

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C16H15F2NO5S/c1-23-12-7-10(8-13(9-12)24-2)15(20)19-11-3-5-14(6-4-11)25(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyRKGUBDCDYYQRKP-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.95
Rot. Bonds6

About N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide

N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 2671265) has the molecular formula C16H15F2NO5S and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
PubChem CID2671265
Molecular FormulaC16H15F2NO5S
Molecular Weight371.36 g/mol
Exact Mass371.06
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C16H15F2NO5S/c1-23-12-7-10(8-13(9-12)24-2)15(20)19-11-3-5-14(6-4-11)25(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyRKGUBDCDYYQRKP-UHFFFAOYSA-N
XLogP2.95
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
N-[4-(difluoromethylsulfonyl)phenyl]-3-fluoro-5-methoxyaniline
CID 133430319
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide (CID 2671265) is N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is RKGUBDCDYYQRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO5S/c1-23-12-7-10(8-13(9-12)24-2)15(20)19-11-3-5-14(6-4-11)25(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide?
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 371.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 2671265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).