5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide

C17H17ClN2O5S — CID 70111986

IUPAC5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCn1c(=O)oc2cc(C)c(NS(=O)(=O)c3cc(Cl)ccc3OC)cc21
InChIInChI=1S/C17H17ClN2O5S/c1-4-20-13-9-12(10(2)7-15(13)25-17(20)21)19-26(22,23)16-8-11(18)5-6-14(16)24-3/h5-9,19H,4H2,1-3H3
InChIKeyGAKSUIUFEBDCGS-UHFFFAOYSA-N
MW396.85 g/mol
LogP3.39
Rot. Bonds5

About 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide

5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 70111986) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID70111986
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCn1c(=O)oc2cc(C)c(NS(=O)(=O)c3cc(Cl)ccc3OC)cc21
InChIInChI=1S/C17H17ClN2O5S/c1-4-20-13-9-12(10(2)7-15(13)25-17(20)21)19-26(22,23)16-8-11(18)5-6-14(16)24-3/h5-9,19H,4H2,1-3H3
InChIKeyGAKSUIUFEBDCGS-UHFFFAOYSA-N
XLogP3.39
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide with MolForge

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Related Compounds

5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
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5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
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5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
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3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
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5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
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CID 70601990
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5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825
5-[[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-(4-chloro-2-methylphenyl)-2-methoxybenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide (CID 70111986) is 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide is CCn1c(=O)oc2cc(C)c(NS(=O)(=O)c3cc(Cl)ccc3OC)cc21.
What is the InChIKey of 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is GAKSUIUFEBDCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-4-20-13-9-12(10(2)7-15(13)25-17(20)21)19-26(22,23)16-8-11(18)5-6-14(16)24-3/h5-9,19H,4H2,1-3H3.
What are the key properties of 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide?
5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 396.85 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 70111986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).