N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide

C15H23NO4S — CID 110292626

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C15H23NO4S/c1-20-13-5-7-14(8-6-13)21(18,19)16-11-15(12-17)9-3-2-4-10-15/h5-8,16-17H,2-4,9-12H2,1H3
InChIKeyNYOHOGGPNWRPGO-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.92
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 110292626) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
PubChem CID110292626
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C15H23NO4S/c1-20-13-5-7-14(8-6-13)21(18,19)16-11-15(12-17)9-3-2-4-10-15/h5-8,16-17H,2-4,9-12H2,1H3
InChIKeyNYOHOGGPNWRPGO-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 103969990
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 110642380
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
CID 110416815
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115360710
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxybenzenesulfonamide
CID 115454056

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide (CID 110292626) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)cc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is NYOHOGGPNWRPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-20-13-5-7-14(8-6-13)21(18,19)16-11-15(12-17)9-3-2-4-10-15/h5-8,16-17H,2-4,9-12H2,1H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110292626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).