N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide

C10H12F2N2O3S — CID 79079912

IUPACN-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCC(F)F
InChIInChI=1S/C10H12F2N2O3S/c1-6-2-3-7(18(13,16)17)4-8(6)10(15)14-5-9(11)12/h2-4,9H,5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyOSOQHKSCYWPQLG-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.64
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide

N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 79079912) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
PubChem CID79079912
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC NameN-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCC(F)F
InChIInChI=1S/C10H12F2N2O3S/c1-6-2-3-7(18(13,16)17)4-8(6)10(15)14-5-9(11)12/h2-4,9H,5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyOSOQHKSCYWPQLG-UHFFFAOYSA-N
XLogP0.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-[(2R)-2-methoxy-2-phenylethyl]-2-methyl-5-sulfamoylbenzamide
CID 94815936
N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide
CID 51097768
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
CID 42010369
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-sulfamoylbenzamide
CID 27772015
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide (CID 79079912) is N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is OSOQHKSCYWPQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-6-2-3-7(18(13,16)17)4-8(6)10(15)14-5-9(11)12/h2-4,9H,5H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide?
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 278.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 79079912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).