1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene

C10H12F2N2O2S — CID 112686080

IUPAC1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene
SMILESNS(=O)(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C10H12F2N2O2S/c11-8-2-1-7(10(12)5-8)6-14(9-3-4-9)17(13,15)16/h1-2,5,9H,3-4,6H2,(H2,13,15,16)
InChIKeyOBCUADVHXPJSDO-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.13
Rot. Bonds4

About 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene

1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene (PubChem CID 112686080) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene
PubChem CID112686080
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Name1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene
SMILESNS(=O)(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C10H12F2N2O2S/c11-8-2-1-7(10(12)5-8)6-14(9-3-4-9)17(13,15)16/h1-2,5,9H,3-4,6H2,(H2,13,15,16)
InChIKeyOBCUADVHXPJSDO-UHFFFAOYSA-N
XLogP1.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-N-cyclobutyl-1-(2,4-difluorophenyl)methanesulfonamide
CID 71612418
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115448025
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 80667040
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077
N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
CID 166242215
3-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936916

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene (CID 112686080) is 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene is NS(=O)(=O)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene?
The InChIKey is OBCUADVHXPJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c11-8-2-1-7(10(12)5-8)6-14(9-3-4-9)17(13,15)16/h1-2,5,9H,3-4,6H2,(H2,13,15,16).
What are the key properties of 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene?
1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene has a molecular weight of 262.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene is sourced from PubChem (CID 112686080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).