3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide

C12H16ClNO2S — CID 43654489

IUPAC3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCc2ccccc21
InChIInChI=1S/C12H16ClNO2S/c13-8-3-9-17(15,16)14-12-7-6-10-4-1-2-5-11(10)12/h1-2,4-5,12,14H,3,6-9H2
InChIKeySRAWNJFIYGLHFO-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.22
Rot. Bonds5

About 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide

3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide (PubChem CID 43654489) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
PubChem CID43654489
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCc2ccccc21
InChIInChI=1S/C12H16ClNO2S/c13-8-3-9-17(15,16)14-12-7-6-10-4-1-2-5-11(10)12/h1-2,4-5,12,14H,3,6-9H2
InChIKeySRAWNJFIYGLHFO-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
CID 95762243
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 56581813
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide
CID 124721706
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 61052493
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029
N-(2,3-dihydro-1H-inden-1-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 17487417
1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43885248

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide (CID 43654489) is 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide is O=S(=O)(CCCCl)NC1CCc2ccccc21.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide?
The InChIKey is SRAWNJFIYGLHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-8-3-9-17(15,16)14-12-7-6-10-4-1-2-5-11(10)12/h1-2,4-5,12,14H,3,6-9H2.
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide?
3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide has a molecular weight of 273.78 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 43654489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).