N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide

C17H18F2N2O4S — CID 46612917

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H18F2N2O4S/c1-20-26(23,24)15-4-2-3-13(11-15)16(22)21-10-9-12-5-7-14(8-6-12)25-17(18)19/h2-8,11,17,20H,9-10H2,1H3,(H,21,22)
InChIKeyCNMVUBTTZSKQNI-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.17
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide (PubChem CID 46612917) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide
PubChem CID46612917
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H18F2N2O4S/c1-20-26(23,24)15-4-2-3-13(11-15)16(22)21-10-9-12-5-7-14(8-6-12)25-17(18)19/h2-8,11,17,20H,9-10H2,1H3,(H,21,22)
InChIKeyCNMVUBTTZSKQNI-UHFFFAOYSA-N
XLogP2.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide
CID 51201923
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2103060
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502452
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 55397568
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607642
N-[4-(4-methoxyphenyl)butan-2-yl]-3-(methylsulfamoyl)benzamide
CID 86853194
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 46655328
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide (CID 46612917) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is CNMVUBTTZSKQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-20-26(23,24)15-4-2-3-13(11-15)16(22)21-10-9-12-5-7-14(8-6-12)25-17(18)19/h2-8,11,17,20H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 384.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 46612917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).