6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide

C12H14ClN3O3S — CID 79684934

IUPAC6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)N[C@@H]3CCNC3)c(Cl)cc2N1
InChIInChI=1S/C12H14ClN3O3S/c13-9-5-10-7(4-12(17)15-10)3-11(9)20(18,19)16-8-1-2-14-6-8/h3,5,8,14,16H,1-2,4,6H2,(H,15,17)/t8-/m1/s1
InChIKeyQXDFVEVPXJMYIK-MRVPVSSYSA-N
MW315.78 g/mol
LogP0.47
Rot. Bonds3

About 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide

6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 79684934) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide
PubChem CID79684934
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)N[C@@H]3CCNC3)c(Cl)cc2N1
InChIInChI=1S/C12H14ClN3O3S/c13-9-5-10-7(4-12(17)15-10)3-11(9)20(18,19)16-8-1-2-14-6-8/h3,5,8,14,16H,1-2,4,6H2,(H,15,17)/t8-/m1/s1
InChIKeyQXDFVEVPXJMYIK-MRVPVSSYSA-N
XLogP0.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide (CID 79684934) is 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)N[C@@H]3CCNC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is QXDFVEVPXJMYIK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c13-9-5-10-7(4-12(17)15-10)3-11(9)20(18,19)16-8-1-2-14-6-8/h3,5,8,14,16H,1-2,4,6H2,(H,15,17)/t8-/m1/s1.
What are the key properties of 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 315.78 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 79684934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).