N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide

C19H19N3O5S — CID 126474230

IUPACN-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nccnc2-c2ccc(CO)cc2)cc1OC
InChIInChI=1S/C19H19N3O5S/c1-26-16-8-7-15(11-17(16)27-2)28(24,25)22-19-18(20-9-10-21-19)14-5-3-13(12-23)4-6-14/h3-11,23H,12H2,1-2H3,(H,21,22)
InChIKeyMSXOVBNXJDVRHJ-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.45
Rot. Bonds7

About N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide

N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 126474230) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID126474230
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nccnc2-c2ccc(CO)cc2)cc1OC
InChIInChI=1S/C19H19N3O5S/c1-26-16-8-7-15(11-17(16)27-2)28(24,25)22-19-18(20-9-10-21-19)14-5-3-13(12-23)4-6-14/h3-11,23H,12H2,1-2H3,(H,21,22)
InChIKeyMSXOVBNXJDVRHJ-UHFFFAOYSA-N
XLogP2.45
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 2812403
2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387105
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
CID 5184948
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
3,4-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100759457
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 56725241
N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide
CID 18231234
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide (CID 126474230) is N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nccnc2-c2ccc(CO)cc2)cc1OC.
What is the InChIKey of N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is MSXOVBNXJDVRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-26-16-8-7-15(11-17(16)27-2)28(24,25)22-19-18(20-9-10-21-19)14-5-3-13(12-23)4-6-14/h3-11,23H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide?
N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 126474230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).