3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide

C13H17BrClNO4S — CID 103836067

IUPAC3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C13H17BrClNO4S/c1-20-13-10(14)5-9(15)6-12(13)21(18,19)16-11-4-2-3-8(11)7-17/h5-6,8,11,16-17H,2-4,7H2,1H3
InChIKeyYQJSDLIAIPFTDT-UHFFFAOYSA-N
MW398.71 g/mol
LogP2.55
Rot. Bonds5

About 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide

3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide (PubChem CID 103836067) has the molecular formula C13H17BrClNO4S and a molecular weight of 398.71 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
PubChem CID103836067
Molecular FormulaC13H17BrClNO4S
Molecular Weight398.71 g/mol
Exact Mass396.98
IUPAC Name3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C13H17BrClNO4S/c1-20-13-10(14)5-9(15)6-12(13)21(18,19)16-11-4-2-3-8(11)7-17/h5-6,8,11,16-17H,2-4,7H2,1H3
InChIKeyYQJSDLIAIPFTDT-UHFFFAOYSA-N
XLogP2.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119985656
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
3-bromo-5-chloro-2-methoxy-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120723014
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
CID 103835940
3-bromo-5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzenesulfonamide
CID 61247098
3-bromo-5-chloro-2-methoxy-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723013
3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 43423225

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide (CID 103836067) is 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCC1CO.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide?
The InChIKey is YQJSDLIAIPFTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO4S/c1-20-13-10(14)5-9(15)6-12(13)21(18,19)16-11-4-2-3-8(11)7-17/h5-6,8,11,16-17H,2-4,7H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide?
3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide has a molecular weight of 398.71 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 103836067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).