5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C12H13ClN2O5S — CID 106423582

IUPAC5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C12H13ClN2O5S/c1-19-12-8(7-16)4-9(13)5-11(12)21(17,18)15-6-10-2-3-14-20-10/h2-5,15-16H,6-7H2,1H3
InChIKeyNALKVKYAEGGMMJ-UHFFFAOYSA-N
MW332.77 g/mol
LogP1.31
Rot. Bonds6

About 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106423582) has the molecular formula C12H13ClN2O5S and a molecular weight of 332.77 g/mol. Its IUPAC name is 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106423582
Molecular FormulaC12H13ClN2O5S
Molecular Weight332.77 g/mol
Exact Mass332.02
IUPAC Name5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C12H13ClN2O5S/c1-19-12-8(7-16)4-9(13)5-11(12)21(17,18)15-6-10-2-3-14-20-10/h2-5,15-16H,6-7H2,1H3
InChIKeyNALKVKYAEGGMMJ-UHFFFAOYSA-N
XLogP1.31
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(2,2-dimethylbutyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 103465926
3-(hydroxymethyl)-4-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423599
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102701324
5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423571
2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
2-bromo-5-(hydroxymethyl)-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423616
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
3-chloro-4-(1,2-oxazol-5-ylmethylsulfamoyl)benzenecarbothioamide
CID 106418008
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106423582) is 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is COc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is NALKVKYAEGGMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O5S/c1-19-12-8(7-16)4-9(13)5-11(12)21(17,18)15-6-10-2-3-14-20-10/h2-5,15-16H,6-7H2,1H3.
What are the key properties of 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 332.77 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106423582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).