N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide

C19H23NO5S — CID 141129541

IUPACN-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cccc(C=O)c1OC
InChIInChI=1S/C19H23NO5S/c1-19(2,3)20-26(22,23)14-9-10-17(24-4)16(11-14)15-8-6-7-13(12-21)18(15)25-5/h6-12,20H,1-5H3
InChIKeyYHCHUMAQFIJCCS-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.26
Rot. Bonds6

About N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide

N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 141129541) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID141129541
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cccc(C=O)c1OC
InChIInChI=1S/C19H23NO5S/c1-19(2,3)20-26(22,23)14-9-10-17(24-4)16(11-14)15-8-6-7-13(12-21)18(15)25-5/h6-12,20H,1-5H3
InChIKeyYHCHUMAQFIJCCS-UHFFFAOYSA-N
XLogP3.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-formyl-4-methoxybenzenesulfonamide
CID 22007151
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 53221142
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515
N-tert-butyl-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913394
2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide
CID 1121755
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242
3-(3-aminoprop-1-ynyl)-N-tert-butyl-4-methoxybenzenesulfonamide
CID 60844092

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide (CID 141129541) is N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cccc(C=O)c1OC.
What is the InChIKey of N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is YHCHUMAQFIJCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-19(2,3)20-26(22,23)14-9-10-17(24-4)16(11-14)15-8-6-7-13(12-21)18(15)25-5/h6-12,20H,1-5H3.
What are the key properties of N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 377.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 141129541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).