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

C13H16ClN3O3S — CID 104982613

IUPAC6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)N[C@H]3CCCNC3)c(Cl)cc2N1
InChIInChI=1S/C13H16ClN3O3S/c14-10-6-11-8(5-13(18)16-11)4-12(10)21(19,20)17-9-2-1-3-15-7-9/h4,6,9,15,17H,1-3,5,7H2,(H,16,18)/t9-/m0/s1
InChIKeyZZUQPEPLMRATBJ-VIFPVBQESA-N
MW329.81 g/mol
LogP0.86
Rot. Bonds3

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

6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 104982613) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
PubChem CID104982613
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)N[C@H]3CCCNC3)c(Cl)cc2N1
InChIInChI=1S/C13H16ClN3O3S/c14-10-6-11-8(5-13(18)16-11)4-12(10)21(19,20)17-9-2-1-3-15-7-9/h4,6,9,15,17H,1-3,5,7H2,(H,16,18)/t9-/m0/s1
InChIKeyZZUQPEPLMRATBJ-VIFPVBQESA-N
XLogP0.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 79684934
6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104645670
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 80553609
6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 43502850
6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43457516
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196
6-chloro-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502039
2,5-dichloro-N-piperidin-3-ylthiophene-3-sulfonamide;hydrochloride
CID 119964259
N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115301382
methyl 4-chloro-3-[[(3S)-piperidin-3-yl]sulfamoyl]benzoate
CID 104982557
N-(2-amino-1-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65188670

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide (CID 104982613) is 6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)N[C@H]3CCCNC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is ZZUQPEPLMRATBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c14-10-6-11-8(5-13(18)16-11)4-12(10)21(19,20)17-9-2-1-3-15-7-9/h4,6,9,15,17H,1-3,5,7H2,(H,16,18)/t9-/m0/s1.
What are the key properties of 6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 0.86, 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-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 104982613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).