N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide

C21H20N2O5S — CID 51445748

IUPACN-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(N2C[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)OC2=O)c1
InChIInChI=1S/C21H20N2O5S/c1-27-18-8-4-7-17(12-18)23-14-19(28-21(23)24)13-22-29(25,26)20-10-9-15-5-2-3-6-16(15)11-20/h2-12,19,22H,13-14H2,1H3/t19-/m0/s1
InChIKeySDZFAWSHLDNQDU-IBGZPJMESA-N
MW412.47 g/mol
LogP3.15
Rot. Bonds6

About N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide

N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide (PubChem CID 51445748) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide
PubChem CID51445748
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(N2C[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)OC2=O)c1
InChIInChI=1S/C21H20N2O5S/c1-27-18-8-4-7-17(12-18)23-14-19(28-21(23)24)13-22-29(25,26)20-10-9-15-5-2-3-6-16(15)11-20/h2-12,19,22H,13-14H2,1H3/t19-/m0/s1
InChIKeySDZFAWSHLDNQDU-IBGZPJMESA-N
XLogP3.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide (CID 51445748) is N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide is COc1cccc(N2C[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)OC2=O)c1.
What is the InChIKey of N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide?
The InChIKey is SDZFAWSHLDNQDU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-27-18-8-4-7-17(12-18)23-14-19(28-21(23)24)13-22-29(25,26)20-10-9-15-5-2-3-6-16(15)11-20/h2-12,19,22H,13-14H2,1H3/t19-/m0/s1.
What are the key properties of N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide?
N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide has a molecular weight of 412.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 51445748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).