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

C13H16BrN3O3S — CID 104645670

IUPAC6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)N[C@@H]3CCCNC3)c(Br)cc2N1
InChIInChI=1S/C13H16BrN3O3S/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-/m1/s1
InChIKeyLBYUDONBEDVOTJ-SECBINFHSA-N
MW374.26 g/mol
LogP0.97
Rot. Bonds3

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

6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 104645670) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
PubChem CID104645670
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC Name6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)N[C@@H]3CCCNC3)c(Br)cc2N1
InChIInChI=1S/C13H16BrN3O3S/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-/m1/s1
InChIKeyLBYUDONBEDVOTJ-SECBINFHSA-N
XLogP0.97
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104982613
6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 79684934
6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83229209
6-bromo-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 83231292
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2-bromo-4,5-dimethoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982732
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
6-bromo-3-oxo-N-pyrrolidin-3-yl-4H-1,4-benzoxazine-7-sulfonamide;hydrochloride
CID 119967195
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 166174754
2-bromo-5-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625915

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide (CID 104645670) is 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)N[C@@H]3CCCNC3)c(Br)cc2N1.
What is the InChIKey of 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is LBYUDONBEDVOTJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/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-/m1/s1.
What are the key properties of 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide?
6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 374.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 104645670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).