N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H16ClN3O5S — CID 110327975

IUPACN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C15H16ClN3O5S/c1-9-14(10(2)24-18-9)25(21,22)17-7-13-8-19(15(20)23-13)12-5-3-4-11(16)6-12/h3-6,13,17H,7-8H2,1-2H3
InChIKeyGPKLNXRDCDQUOL-UHFFFAOYSA-N
MW385.83 g/mol
LogP2.25
Rot. Bonds5

About N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110327975) has the molecular formula C15H16ClN3O5S and a molecular weight of 385.83 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110327975
Molecular FormulaC15H16ClN3O5S
Molecular Weight385.83 g/mol
Exact Mass385.05
IUPAC NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C15H16ClN3O5S/c1-9-14(10(2)24-18-9)25(21,22)17-7-13-8-19(15(20)23-13)12-5-3-4-11(16)6-12/h3-6,13,17H,7-8H2,1-2H3
InChIKeyGPKLNXRDCDQUOL-UHFFFAOYSA-N
XLogP2.25
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110327975) is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is GPKLNXRDCDQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O5S/c1-9-14(10(2)24-18-9)25(21,22)17-7-13-8-19(15(20)23-13)12-5-3-4-11(16)6-12/h3-6,13,17H,7-8H2,1-2H3.
What are the key properties of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 385.83 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110327975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).