5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide

C14H14BrNO2S2 — CID 67524298

IUPAC5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESC[C@H]1[C@H](NS(=O)(=O)c2ccc(Br)s2)[C@H]1c1ccccc1
InChIInChI=1S/C14H14BrNO2S2/c1-9-13(10-5-3-2-4-6-10)14(9)16-20(17,18)12-8-7-11(15)19-12/h2-9,13-14,16H,1H3/t9-,13-,14+/m1/s1
InChIKeyZRZRIXHKVZHRAI-FZQKWOKYSA-N
MW372.31 g/mol
LogP3.59
Rot. Bonds4

About 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide

5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide (PubChem CID 67524298) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
PubChem CID67524298
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC Name5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESC[C@H]1[C@H](NS(=O)(=O)c2ccc(Br)s2)[C@H]1c1ccccc1
InChIInChI=1S/C14H14BrNO2S2/c1-9-13(10-5-3-2-4-6-10)14(9)16-20(17,18)12-8-7-11(15)19-12/h2-9,13-14,16H,1H3/t9-,13-,14+/m1/s1
InChIKeyZRZRIXHKVZHRAI-FZQKWOKYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide (CID 67524298) is 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide is C[C@H]1[C@H](NS(=O)(=O)c2ccc(Br)s2)[C@H]1c1ccccc1.
What is the InChIKey of 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The InChIKey is ZRZRIXHKVZHRAI-FZQKWOKYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c1-9-13(10-5-3-2-4-6-10)14(9)16-20(17,18)12-8-7-11(15)19-12/h2-9,13-14,16H,1H3/t9-,13-,14+/m1/s1.
What are the key properties of 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide has a molecular weight of 372.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67524298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).