N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide

C14H19NO3S — CID 155923733

IUPACN-cyclohexyl-4-formyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C=O)cc1
InChIInChI=1S/C14H19NO3S/c1-15(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-16)8-10-14/h7-11,13H,2-6H2,1H3
InChIKeyWNAONUSEYNPQAW-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.45
Rot. Bonds4

About N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide

N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide (PubChem CID 155923733) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-formyl-N-methylbenzenesulfonamide
PubChem CID155923733
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-cyclohexyl-4-formyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C=O)cc1
InChIInChI=1S/C14H19NO3S/c1-15(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-16)8-10-14/h7-11,13H,2-6H2,1H3
InChIKeyWNAONUSEYNPQAW-UHFFFAOYSA-N
XLogP2.45
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(3S)-1-oxoheptan-3-yl]benzenesulfonamide
CID 44574979
4-acetyl-N,N-diethylbenzenesulfonamide
CID 750432
4-Formyl-N-methylbenzenesulfonamide
CID 14327177
3-formyl-N,N-dimethylbenzene-1-sulfonamide
CID 19815976
4-(Piperidine-1-sulfonyl)benzaldehyde
CID 21051090
4-((4-Methylpiperazin-1-yl)sulfonyl)benzaldehyde
CID 59846222
4-(4-Pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
CID 155923731
4-[4-(Dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
CID 155923732
4-(4-Propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
CID 155923740
4-[(2S)-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde
CID 155923744
4-(4-Methoxypiperidin-1-yl)sulfonylbenzaldehyde
CID 155923749
4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide
CID 155923750

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide (CID 155923733) is N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C=O)cc1.
What is the InChIKey of N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide?
The InChIKey is WNAONUSEYNPQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-15(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-16)8-10-14/h7-11,13H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide?
N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 155923733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).