N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide

C12H14F2N2O3S — CID 65386252

IUPACN-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(F)cc(S(N)(=O)=O)c1F)C1CC1
InChIInChI=1S/C12H14F2N2O3S/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(11(9)14)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyXDNWGZAOTUZDJZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.14
Rot. Bonds4

About N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide

N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide (PubChem CID 65386252) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide
PubChem CID65386252
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC NameN-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(F)cc(S(N)(=O)=O)c1F)C1CC1
InChIInChI=1S/C12H14F2N2O3S/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(11(9)14)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyXDNWGZAOTUZDJZ-UHFFFAOYSA-N
XLogP1.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
2-bromo-3-(1-cyclopropylethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370561
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
3-(3,4-dimethylpyrrolidine-1-carbonyl)-2,5-difluorobenzenesulfonamide
CID 79179822

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide (CID 65386252) is N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide is CC(NC(=O)c1cc(F)cc(S(N)(=O)=O)c1F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide?
The InChIKey is XDNWGZAOTUZDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(11(9)14)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide?
N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide has a molecular weight of 304.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide is sourced from PubChem (CID 65386252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).