2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide

C21H27NO5S — CID 169334975

IUPAC2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C21H27NO5S/c1-15-7-9-17(10-8-15)22(13-16(2)24)28(25,26)21-6-4-3-5-19(21)20-12-11-18(14-23)27-20/h3-6,11-12,14-17,24H,7-10,13H2,1-2H3
InChIKeyKXZCJZOFQGDNSI-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.71
Rot. Bonds7

About 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide

2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 169334975) has the molecular formula C21H27NO5S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID169334975
Molecular FormulaC21H27NO5S
Molecular Weight405.52 g/mol
Exact Mass405.16
IUPAC Name2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C21H27NO5S/c1-15-7-9-17(10-8-15)22(13-16(2)24)28(25,26)21-6-4-3-5-19(21)20-12-11-18(14-23)27-20/h3-6,11-12,14-17,24H,7-10,13H2,1-2H3
InChIKeyKXZCJZOFQGDNSI-UHFFFAOYSA-N
XLogP3.71
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.71
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

2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169326125
2-chloro-N'-[2-[2-hydroxypropyl-(4-methylcyclohexyl)sulfamoyl]phenyl]ethanimidamide
CID 169368471
N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 136517168
2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169377072
5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
CID 169332423
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
5-(2-cyclobutylphenyl)furan-2-carbaldehyde
CID 106886627
4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
CID 154782398
2-methylpropyl 2-(5-formylfuran-2-yl)benzoate
CID 169331925
5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
CID 169332268
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-phenylbenzenesulfonamide
CID 39978103
2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
CID 169334646

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide (CID 169334975) is 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide is CC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1-c1ccc(C=O)o1.
What is the InChIKey of 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is KXZCJZOFQGDNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5S/c1-15-7-9-17(10-8-15)22(13-16(2)24)28(25,26)21-6-4-3-5-19(21)20-12-11-18(14-23)27-20/h3-6,11-12,14-17,24H,7-10,13H2,1-2H3.
What are the key properties of 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 169334975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).