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

C14H21NO5S — CID 103835940

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2CO)c(OC)c1
InChIInChI=1S/C14H21NO5S/c1-19-11-6-7-14(13(8-11)20-2)21(17,18)15-12-5-3-4-10(12)9-16/h6-8,10,12,15-16H,3-5,9H2,1-2H3
InChIKeyBKLIIVRYHYZWLM-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.14
Rot. Bonds6

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

N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 103835940) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID103835940
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2CO)c(OC)c1
InChIInChI=1S/C14H21NO5S/c1-19-11-6-7-14(13(8-11)20-2)21(17,18)15-12-5-3-4-10(12)9-16/h6-8,10,12,15-16H,3-5,9H2,1-2H3
InChIKeyBKLIIVRYHYZWLM-UHFFFAOYSA-N
XLogP1.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 167846855
3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 103836067
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
CID 63252482
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide (CID 103835940) is N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCC2CO)c(OC)c1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is BKLIIVRYHYZWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-19-11-6-7-14(13(8-11)20-2)21(17,18)15-12-5-3-4-10(12)9-16/h6-8,10,12,15-16H,3-5,9H2,1-2H3.
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide?
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 103835940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).