N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide

C18H21N3O5S — CID 110634121

IUPACN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCC3CN(C4CC4)C(=O)O3)cc2)c(C)o1
InChIInChI=1S/C18H21N3O5S/c1-11-17(20-12(2)25-11)13-3-7-16(8-4-13)27(23,24)19-9-15-10-21(14-5-6-14)18(22)26-15/h3-4,7-8,14-15,19H,5-6,9-10H2,1-2H3
InChIKeyOGXPDYGMDMWXLJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.22
Rot. Bonds6

About N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 110634121) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID110634121
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCC3CN(C4CC4)C(=O)O3)cc2)c(C)o1
InChIInChI=1S/C18H21N3O5S/c1-11-17(20-12(2)25-11)13-3-7-16(8-4-13)27(23,24)19-9-15-10-21(14-5-6-14)18(22)26-15/h3-4,7-8,14-15,19H,5-6,9-10H2,1-2H3
InChIKeyOGXPDYGMDMWXLJ-UHFFFAOYSA-N
XLogP2.22
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 110634121) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCC3CN(C4CC4)C(=O)O3)cc2)c(C)o1.
What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is OGXPDYGMDMWXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-11-17(20-12(2)25-11)13-3-7-16(8-4-13)27(23,24)19-9-15-10-21(14-5-6-14)18(22)26-15/h3-4,7-8,14-15,19H,5-6,9-10H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 110634121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).