5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide

C14H12N2O3S2 — CID 106272528

IUPAC5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)s1
InChIInChI=1S/C14H12N2O3S2/c15-8-10-5-6-13(20-10)21(18,19)16-14-11-4-2-1-3-9(11)7-12(14)17/h1-6,12,14,16-17H,7H2/t12-,14+/m1/s1
InChIKeyMPTOHEWUZSUVLN-OCCSQVGLSA-N
MW320.40 g/mol
LogP1.56
Rot. Bonds3

About 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide

5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide (PubChem CID 106272528) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
PubChem CID106272528
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC Name5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)s1
InChIInChI=1S/C14H12N2O3S2/c15-8-10-5-6-13(20-10)21(18,19)16-14-11-4-2-1-3-9(11)7-12(14)17/h1-6,12,14,16-17H,7H2/t12-,14+/m1/s1
InChIKeyMPTOHEWUZSUVLN-OCCSQVGLSA-N
XLogP1.56
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide (CID 106272528) is 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)s1.
What is the InChIKey of 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide?
The InChIKey is MPTOHEWUZSUVLN-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c15-8-10-5-6-13(20-10)21(18,19)16-14-11-4-2-1-3-9(11)7-12(14)17/h1-6,12,14,16-17H,7H2/t12-,14+/m1/s1.
What are the key properties of 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide?
5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide has a molecular weight of 320.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 106272528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).