N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H13ClN2O5S — CID 39853829

IUPACN-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cc(Cl)c(O)cc1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H13ClN2O5S/c1-6-12(7(2)20-14-6)21(17,18)15-9-5-10(16)8(13)4-11(9)19-3/h4-5,15-16H,1-3H3
InChIKeyMMADWEASKMJNKZ-UHFFFAOYSA-N
MW332.77 g/mol
LogP2.46
Rot. Bonds4

About N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 39853829) has the molecular formula C12H13ClN2O5S and a molecular weight of 332.77 g/mol. Its IUPAC name is N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID39853829
Molecular FormulaC12H13ClN2O5S
Molecular Weight332.77 g/mol
Exact Mass332.02
IUPAC NameN-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cc(Cl)c(O)cc1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H13ClN2O5S/c1-6-12(7(2)20-14-6)21(17,18)15-9-5-10(16)8(13)4-11(9)19-3/h4-5,15-16H,1-3H3
InChIKeyMMADWEASKMJNKZ-UHFFFAOYSA-N
XLogP2.46
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095
N-(2-chloro-4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103791873
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31815213
N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28783259
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 68954115
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 31754465

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 39853829) is N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1cc(Cl)c(O)cc1NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MMADWEASKMJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O5S/c1-6-12(7(2)20-14-6)21(17,18)15-9-5-10(16)8(13)4-11(9)19-3/h4-5,15-16H,1-3H3.
What are the key properties of N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 332.77 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 39853829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).