N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide

C16H16F2N2O4S — CID 42010369

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F2N2O4S/c1-10-2-7-13(25(19,22)23)8-14(10)15(21)20-9-11-3-5-12(6-4-11)24-16(17)18/h2-8,16H,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyUGGZZTMBAQWHBR-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.17
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide (PubChem CID 42010369) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
PubChem CID42010369
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F2N2O4S/c1-10-2-7-13(25(19,22)23)8-14(10)15(21)20-9-11-3-5-12(6-4-11)24-16(17)18/h2-8,16H,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyUGGZZTMBAQWHBR-UHFFFAOYSA-N
XLogP2.17
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
CID 55840948
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46808314
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 38966384

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide (CID 42010369) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide?
The InChIKey is UGGZZTMBAQWHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-10-2-7-13(25(19,22)23)8-14(10)15(21)20-9-11-3-5-12(6-4-11)24-16(17)18/h2-8,16H,9H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide has a molecular weight of 370.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 42010369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).