N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide

C15H13N2O4S+ — CID 164971706

IUPACN-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)=CC(=O)[NH+]=3)c1
InChIInChI=1S/C15H12N2O4S/c1-21-12-4-2-3-11(9-12)17-22(19,20)13-5-6-14-10(7-13)8-15(18)16-14/h2-9,17H,1H3/p+1
InChIKeyDFBZMWILJBOJNM-UHFFFAOYSA-O
MW317.35 g/mol
LogP-1.48
Rot. Bonds4

About N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide

N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide (PubChem CID 164971706) has the molecular formula C15H13N2O4S+ and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide
PubChem CID164971706
Molecular FormulaC15H13N2O4S+
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)=CC(=O)[NH+]=3)c1
InChIInChI=1S/C15H12N2O4S/c1-21-12-4-2-3-11(9-12)17-22(19,20)13-5-6-14-10(7-13)8-15(18)16-14/h2-9,17H,1H3/p+1
InChIKeyDFBZMWILJBOJNM-UHFFFAOYSA-O
XLogP-1.48
TPSA86.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 31064512
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4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
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4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 171134272
N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide (CID 164971706) is N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide is COc1cccc(NS(=O)(=O)c2ccc3c(c2)=CC(=O)[NH+]=3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide?
The InChIKey is DFBZMWILJBOJNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12N2O4S/c1-21-12-4-2-3-11(9-12)17-22(19,20)13-5-6-14-10(7-13)8-15(18)16-14/h2-9,17H,1H3/p+1.
What are the key properties of N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide?
N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide has a molecular weight of 317.35 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide is sourced from PubChem (CID 164971706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).