N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide

C15H23NO5S — CID 110416815

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(CO)CCCC2)c(OC)c1
InChIInChI=1S/C15H23NO5S/c1-20-12-5-6-14(13(9-12)21-2)22(18,19)16-10-15(11-17)7-3-4-8-15/h5-6,9,16-17H,3-4,7-8,10-11H2,1-2H3
InChIKeyPWWMNABLGJNGTE-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.53
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 110416815) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID110416815
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(CO)CCCC2)c(OC)c1
InChIInChI=1S/C15H23NO5S/c1-20-12-5-6-14(13(9-12)21-2)22(18,19)16-10-15(11-17)7-3-4-8-15/h5-6,9,16-17H,3-4,7-8,10-11H2,1-2H3
InChIKeyPWWMNABLGJNGTE-UHFFFAOYSA-N
XLogP1.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943344
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
CID 79469582
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 75431366
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627
[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358422
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110310146
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide (CID 110416815) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(CO)CCCC2)c(OC)c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is PWWMNABLGJNGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-20-12-5-6-14(13(9-12)21-2)22(18,19)16-10-15(11-17)7-3-4-8-15/h5-6,9,16-17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110416815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).