N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide

C15H23NO4S — CID 110416813

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(CO)CCCC2)c(C)c1
InChIInChI=1S/C15H23NO4S/c1-12-9-13(20-2)5-6-14(12)21(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
InChIKeyYOGMEUPSBJKFFQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.83
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 110416813) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID110416813
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(CO)CCCC2)c(C)c1
InChIInChI=1S/C15H23NO4S/c1-12-9-13(20-2)5-6-14(12)21(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
InChIKeyYOGMEUPSBJKFFQ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
CID 110416815
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693
4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97042676
5-amino-4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 114625986
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 75431366
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide (CID 110416813) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(CO)CCCC2)c(C)c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is YOGMEUPSBJKFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-12-9-13(20-2)5-6-14(12)21(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]-4-methoxy-2-methylbenzenesulfonamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 110416813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).