N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide

C15H15ClN2O4S2 — CID 169263113

IUPACN-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2c3ccc(Cl)cc3C[C@@H]2O)s1
InChIInChI=1S/C15H15ClN2O4S2/c1-17-24(21,22)13-5-4-12(23-13)15(20)18-14-10-3-2-9(16)6-8(10)7-11(14)19/h2-6,11,14,17,19H,7H2,1H3,(H,18,20)/t11-,14+/m0/s1
InChIKeyJPMULZNHEDJIGO-SMDDNHRTSA-N
MW386.88 g/mol
LogP1.70
Rot. Bonds4

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

N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide (PubChem CID 169263113) has the molecular formula C15H15ClN2O4S2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide
PubChem CID169263113
Molecular FormulaC15H15ClN2O4S2
Molecular Weight386.88 g/mol
Exact Mass386.02
IUPAC NameN-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2c3ccc(Cl)cc3C[C@@H]2O)s1
InChIInChI=1S/C15H15ClN2O4S2/c1-17-24(21,22)13-5-4-12(23-13)15(20)18-14-10-3-2-9(16)6-8(10)7-11(14)19/h2-6,11,14,17,19H,7H2,1H3,(H,18,20)/t11-,14+/m0/s1
InChIKeyJPMULZNHEDJIGO-SMDDNHRTSA-N
XLogP1.70
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide (CID 169263113) is N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2c3ccc(Cl)cc3C[C@@H]2O)s1.
What is the InChIKey of N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is JPMULZNHEDJIGO-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H15ClN2O4S2/c1-17-24(21,22)13-5-4-12(23-13)15(20)18-14-10-3-2-9(16)6-8(10)7-11(14)19/h2-6,11,14,17,19H,7H2,1H3,(H,18,20)/t11-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 169263113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).