N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C19H28N2O5S — CID 110310146

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C19H28N2O5S/c1-26-16-8-7-15(21-11-5-6-18(21)23)12-17(16)27(24,25)20-13-19(14-22)9-3-2-4-10-19/h7-8,12,20,22H,2-6,9-11,13-14H2,1H3
InChIKeyRZKRZWWRRTZAST-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.04
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 110310146) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID110310146
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C19H28N2O5S/c1-26-16-8-7-15(21-11-5-6-18(21)23)12-17(16)27(24,25)20-13-19(14-22)9-3-2-4-10-19/h7-8,12,20,22H,2-6,9-11,13-14H2,1H3
InChIKeyRZKRZWWRRTZAST-UHFFFAOYSA-N
XLogP2.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide with MolForge

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Related Compounds

2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110617246
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295662
2-methoxy-N-(3-methoxyphenyl)-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295704
2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110310815
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
CID 110416815
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
3-[[1-(dimethylamino)cycloheptyl]methylsulfamoyl]-4-methoxybenzoic acid
CID 45422378
2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635928
1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 110295630
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 110310146) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RZKRZWWRRTZAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-26-16-8-7-15(21-11-5-6-18(21)23)12-17(16)27(24,25)20-13-19(14-22)9-3-2-4-10-19/h7-8,12,20,22H,2-6,9-11,13-14H2,1H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110310146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).