3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide

C14H21ClN2O2S — CID 61248393

IUPAC3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H21ClN2O2S/c15-8-3-12-20(18,19)16-9-4-10-17-11-7-13-5-1-2-6-14(13)17/h1-2,5-6,16H,3-4,7-12H2
InChIKeyCVXBSNIAHKMFNO-UHFFFAOYSA-N
MW316.85 g/mol
LogP1.99
Rot. Bonds8

About 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide

3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide (PubChem CID 61248393) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide
PubChem CID61248393
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H21ClN2O2S/c15-8-3-12-20(18,19)16-9-4-10-17-11-7-13-5-1-2-6-14(13)17/h1-2,5-6,16H,3-4,7-12H2
InChIKeyCVXBSNIAHKMFNO-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
1-butyl-2,3-dihydroindole
CID 4167209
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 29275975
1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole
CID 158311843
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 61250445
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
1-(chloromethyl)-2,3-dihydroindole
CID 59108457

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide (CID 61248393) is 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NCCCN1CCc2ccccc21.
What is the InChIKey of 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide?
The InChIKey is CVXBSNIAHKMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c15-8-3-12-20(18,19)16-9-4-10-17-11-7-13-5-1-2-6-14(13)17/h1-2,5-6,16H,3-4,7-12H2.
What are the key properties of 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide?
3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide has a molecular weight of 316.85 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 61248393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).