3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide

C10H14BrNO3S2 — CID 103835912

IUPAC3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCC1CO)c1sccc1Br
InChIInChI=1S/C10H14BrNO3S2/c11-8-4-5-16-10(8)17(14,15)12-9-3-1-2-7(9)6-13/h4-5,7,9,12-13H,1-3,6H2
InChIKeyWRSVEMVPZJJWQO-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.95
Rot. Bonds4

About 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide

3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide (PubChem CID 103835912) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
PubChem CID103835912
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCC1CO)c1sccc1Br
InChIInChI=1S/C10H14BrNO3S2/c11-8-4-5-16-10(8)17(14,15)12-9-3-1-2-7(9)6-13/h4-5,7,9,12-13H,1-3,6H2
InChIKeyWRSVEMVPZJJWQO-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957127
3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
CID 114297371
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide
CID 62408848
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide (CID 103835912) is 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide is O=S(=O)(NC1CCCC1CO)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide?
The InChIKey is WRSVEMVPZJJWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c11-8-4-5-16-10(8)17(14,15)12-9-3-1-2-7(9)6-13/h4-5,7,9,12-13H,1-3,6H2.
What are the key properties of 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide?
3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide has a molecular weight of 340.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide is sourced from PubChem (CID 103835912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).