5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide

C20H19NO3S2 — CID 67525631

IUPAC5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESC[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C20H19NO3S2/c1-20(15-5-3-2-4-6-15)13-18(20)21-26(23,24)19-12-11-17(25-19)14-7-9-16(22)10-8-14/h2-12,18,21-22H,13H2,1H3/t18-,20+/m0/s1
InChIKeyJMMQBSGCTHYPJE-AZUAARDMSA-N
MW385.51 g/mol
LogP4.13
Rot. Bonds5

About 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide

5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide (PubChem CID 67525631) has the molecular formula C20H19NO3S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
PubChem CID67525631
Molecular FormulaC20H19NO3S2
Molecular Weight385.51 g/mol
Exact Mass385.08
IUPAC Name5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESC[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C20H19NO3S2/c1-20(15-5-3-2-4-6-15)13-18(20)21-26(23,24)19-12-11-17(25-19)14-7-9-16(22)10-8-14/h2-12,18,21-22H,13H2,1H3/t18-,20+/m0/s1
InChIKeyJMMQBSGCTHYPJE-AZUAARDMSA-N
XLogP4.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide (CID 67525631) is 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide is C[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(O)cc2)s1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The InChIKey is JMMQBSGCTHYPJE-AZUAARDMSA-N. The full InChI is InChI=1S/C20H19NO3S2/c1-20(15-5-3-2-4-6-15)13-18(20)21-26(23,24)19-12-11-17(25-19)14-7-9-16(22)10-8-14/h2-12,18,21-22H,13H2,1H3/t18-,20+/m0/s1.
What are the key properties of 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide has a molecular weight of 385.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67525631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).