4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide

C19H21N3O6S2 — CID 55815916

IUPAC4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide
SMILESO=C1OCCN1c1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C19H21N3O6S2/c23-19-22(10-11-28-19)16-3-1-2-14(12-16)13-20-29(24,25)17-6-8-18(9-7-17)30(26,27)21-15-4-5-15/h1-3,6-9,12,15,20-21H,4-5,10-11,13H2
InChIKeyORQWZMOGSMIJJO-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.56
Rot. Bonds8

About 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide

4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide (PubChem CID 55815916) has the molecular formula C19H21N3O6S2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide
PubChem CID55815916
Molecular FormulaC19H21N3O6S2
Molecular Weight451.53 g/mol
Exact Mass451.09
IUPAC Name4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide
SMILESO=C1OCCN1c1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C19H21N3O6S2/c23-19-22(10-11-28-19)16-3-1-2-14(12-16)13-20-29(24,25)17-6-8-18(9-7-17)30(26,27)21-15-4-5-15/h1-3,6-9,12,15,20-21H,4-5,10-11,13H2
InChIKeyORQWZMOGSMIJJO-UHFFFAOYSA-N
XLogP1.56
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372318
N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372349
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(2-oxo-1,3-oxazolidin-3-yl)pyridine-3-sulfonamide
CID 166097364
1-(2-methylpropyl)-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 60562162
4-nitro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667571
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
CID 61349238
3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 64500021
3-fluoro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
CID 38941439
4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 94659890
4-cyclopentyloxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55934364

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide (CID 55815916) is 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide is O=C1OCCN1c1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1.
What is the InChIKey of 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide?
The InChIKey is ORQWZMOGSMIJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S2/c23-19-22(10-11-28-19)16-3-1-2-14(12-16)13-20-29(24,25)17-6-8-18(9-7-17)30(26,27)21-15-4-5-15/h1-3,6-9,12,15,20-21H,4-5,10-11,13H2.
What are the key properties of 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide?
4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide has a molecular weight of 451.53 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 55815916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).