N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide

C14H18F2N2O3S — CID 146089268

IUPACN-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide
SMILESCCN(CC(F)F)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H18F2N2O3S/c1-2-18(9-13(15)16)22(20,21)12-5-3-4-10(8-12)14(19)17-11-6-7-11/h3-5,8,11,13H,2,6-7,9H2,1H3,(H,17,19)
InChIKeyZMRVTCZZWGYQJF-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.85
Rot. Bonds7

About N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide

N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide (PubChem CID 146089268) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide
PubChem CID146089268
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC NameN-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide
SMILESCCN(CC(F)F)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H18F2N2O3S/c1-2-18(9-13(15)16)22(20,21)12-5-3-4-10(8-12)14(19)17-11-6-7-11/h3-5,8,11,13H,2,6-7,9H2,1H3,(H,17,19)
InChIKeyZMRVTCZZWGYQJF-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(diethylsulfamoyl)-N-propylbenzamide
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CID 51128604
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3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
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N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide
CID 120895786
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CID 17477542
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CID 119388175

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide (CID 146089268) is N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide is CCN(CC(F)F)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide?
The InChIKey is ZMRVTCZZWGYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-2-18(9-13(15)16)22(20,21)12-5-3-4-10(8-12)14(19)17-11-6-7-11/h3-5,8,11,13H,2,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide?
N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide has a molecular weight of 332.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide is sourced from PubChem (CID 146089268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).