1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide

C17H18F2N2O5S2 — CID 47092075

IUPAC1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide
SMILESCc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H18F2N2O5S2/c1-11-3-2-4-15(26-17(18)19)16(11)21-28(24,25)14-9-7-13(8-10-14)27(22,23)20-12-5-6-12/h2-4,7-10,12,17,20-21H,5-6H2,1H3
InChIKeyVCHGQYUILWETBF-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.84
Rot. Bonds8

About 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide

1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide (PubChem CID 47092075) has the molecular formula C17H18F2N2O5S2 and a molecular weight of 432.47 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide
PubChem CID47092075
Molecular FormulaC17H18F2N2O5S2
Molecular Weight432.47 g/mol
Exact Mass432.06
IUPAC Name1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide
SMILESCc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H18F2N2O5S2/c1-11-3-2-4-15(26-17(18)19)16(11)21-28(24,25)14-9-7-13(8-10-14)27(22,23)20-12-5-6-12/h2-4,7-10,12,17,20-21H,5-6H2,1H3
InChIKeyVCHGQYUILWETBF-UHFFFAOYSA-N
XLogP2.84
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109058403
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
N-cyclopropyl-4-[(E)-3-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-oxoprop-1-enyl]benzenesulfonamide
CID 55689685
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
CID 109058325
1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
CID 35507830
4-(cyclopropylsulfamoyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 109058401
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874438
4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
CID 49391044
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 46588506
3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
CID 119764632

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide?
The IUPAC name of 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide (CID 47092075) is 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide is Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide?
The InChIKey is VCHGQYUILWETBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S2/c1-11-3-2-4-15(26-17(18)19)16(11)21-28(24,25)14-9-7-13(8-10-14)27(22,23)20-12-5-6-12/h2-4,7-10,12,17,20-21H,5-6H2,1H3.
What are the key properties of 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide?
1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide has a molecular weight of 432.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-[2-(difluoromethoxy)-6-methylphenyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 47092075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).