5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

C9H13BrN2O2S2 — CID 97052749

IUPAC5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCNC1)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2O2S2/c10-8-1-2-9(15-8)16(13,14)12-6-7-3-4-11-5-7/h1-2,7,11-12H,3-6H2/t7-/m0/s1
InChIKeyRZBKEHLVIRCOMO-ZETCQYMHSA-N
MW325.25 g/mol
LogP1.40
Rot. Bonds4

About 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 97052749) has the molecular formula C9H13BrN2O2S2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID97052749
Molecular FormulaC9H13BrN2O2S2
Molecular Weight325.25 g/mol
Exact Mass323.96
IUPAC Name5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCNC1)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2O2S2/c10-8-1-2-9(15-8)16(13,14)12-6-7-3-4-11-5-7/h1-2,7,11-12H,3-6H2/t7-/m0/s1
InChIKeyRZBKEHLVIRCOMO-ZETCQYMHSA-N
XLogP1.40
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 ≤ 51.40
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
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
CID 119464585
5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
CID 94479341
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318
5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
CID 120724757
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 120721094
5-chloro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-sulfonamide
CID 63622140
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902
5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129335423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (CID 97052749) is 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NC[C@H]1CCNC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is RZBKEHLVIRCOMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13BrN2O2S2/c10-8-1-2-9(15-8)16(13,14)12-6-7-3-4-11-5-7/h1-2,7,11-12H,3-6H2/t7-/m0/s1.
What are the key properties of 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 325.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97052749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).