5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole

C11H14ClNO2S — CID 68564334

IUPAC5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole
SMILESO=S(=O)(CCCCl)c1ccc2c(c1)CCN2
InChIInChI=1S/C11H14ClNO2S/c12-5-1-7-16(14,15)10-2-3-11-9(8-10)4-6-13-11/h2-3,8,13H,1,4-7H2
InChIKeyKLPPINFDSCDWLB-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.06
Rot. Bonds4

About 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole

5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole (PubChem CID 68564334) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole
PubChem CID68564334
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole
SMILESO=S(=O)(CCCCl)c1ccc2c(c1)CCN2
InChIInChI=1S/C11H14ClNO2S/c12-5-1-7-16(14,15)10-2-3-11-9(8-10)4-6-13-11/h2-3,8,13H,1,4-7H2
InChIKeyKLPPINFDSCDWLB-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol
CID 138112782
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propanoic acid
CID 135392633
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
CID 62229484
N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 107200821
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 116853259
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 115520729
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole (CID 68564334) is 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole is O=S(=O)(CCCCl)c1ccc2c(c1)CCN2.
What is the InChIKey of 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole?
The InChIKey is KLPPINFDSCDWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-5-1-7-16(14,15)10-2-3-11-9(8-10)4-6-13-11/h2-3,8,13H,1,4-7H2.
What are the key properties of 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole?
5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole has a molecular weight of 259.76 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 68564334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).