(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole

C14H12BrClN2O2S — CID 1034220

IUPAC(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
SMILESC[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c1-9-6-10-4-2-3-5-13(10)18(9)21(19,20)11-7-12(15)14(16)17-8-11/h2-5,7-9H,6H2,1H3/t9-/m1/s1
InChIKeySFMMOEHTRIDDPD-SECBINFHSA-N
MW387.69 g/mol
LogP3.64
Rot. Bonds2

About (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole

(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole (PubChem CID 1034220) has the molecular formula C14H12BrClN2O2S and a molecular weight of 387.69 g/mol. Its IUPAC name is (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
PubChem CID1034220
Molecular FormulaC14H12BrClN2O2S
Molecular Weight387.69 g/mol
Exact Mass385.95
IUPAC Name(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
SMILESC[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c1-9-6-10-4-2-3-5-13(10)18(9)21(19,20)11-7-12(15)14(16)17-8-11/h2-5,7-9H,6H2,1H3/t9-/m1/s1
InChIKeySFMMOEHTRIDDPD-SECBINFHSA-N
XLogP3.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 4729991
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 51126282
6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole
CID 110759759
1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 86870315
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 43109587
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
CID 23853086

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole (CID 1034220) is (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole is C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole?
The InChIKey is SFMMOEHTRIDDPD-SECBINFHSA-N. The full InChI is InChI=1S/C14H12BrClN2O2S/c1-9-6-10-4-2-3-5-13(10)18(9)21(19,20)11-7-12(15)14(16)17-8-11/h2-5,7-9H,6H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole?
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole has a molecular weight of 387.69 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 1034220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).