5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide

C9H13BrN2O2S2 — CID 94479341

IUPAC5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCCN1)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2O2S2/c10-8-3-4-9(15-8)16(13,14)12-6-7-2-1-5-11-7/h3-4,7,11-12H,1-2,5-6H2/t7-/m1/s1
InChIKeyNGQXCDDTDLSPLG-SSDOTTSWSA-N
MW325.25 g/mol
LogP1.54
Rot. Bonds4

About 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide

5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 94479341) has the molecular formula C9H13BrN2O2S2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID94479341
Molecular FormulaC9H13BrN2O2S2
Molecular Weight325.25 g/mol
Exact Mass323.96
IUPAC Name5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCCN1)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2O2S2/c10-8-3-4-9(15-8)16(13,14)12-6-7-2-1-5-11-7/h3-4,7,11-12H,1-2,5-6H2/t7-/m1/s1
InChIKeyNGQXCDDTDLSPLG-SSDOTTSWSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 119974367
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
CID 119464585
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide (CID 94479341) is 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NC[C@H]1CCCN1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is NGQXCDDTDLSPLG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN2O2S2/c10-8-3-4-9(15-8)16(13,14)12-6-7-2-1-5-11-7/h3-4,7,11-12H,1-2,5-6H2/t7-/m1/s1.
What are the key properties of 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide?
5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 325.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 94479341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).