3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide

C11H17ClN2O2S — CID 94036457

IUPAC3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide
SMILESC[C@H](NCCCS(N)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-9(10-5-2-3-6-11(10)12)14-7-4-8-17(13,15)16/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,13,15,16)/t9-/m0/s1
InChIKeyUGRDDLXBFZDWSA-VIFPVBQESA-N
MW276.79 g/mol
LogP1.67
Rot. Bonds6

About 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide

3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide (PubChem CID 94036457) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide
PubChem CID94036457
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide
SMILESC[C@H](NCCCS(N)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-9(10-5-2-3-6-11(10)12)14-7-4-8-17(13,15)16/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,13,15,16)/t9-/m0/s1
InChIKeyUGRDDLXBFZDWSA-VIFPVBQESA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666747
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28649407
N-[(1S)-1-(2-chlorophenyl)ethyl]pent-4-yn-1-amine
CID 103916408
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
3-[1-(2-bromophenyl)ethylamino]-N-methylpropane-1-sulfonamide
CID 75442618
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137
5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide
CID 81378812
(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 81379566
N-[(1S)-1-(2-methylphenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81375092

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide (CID 94036457) is 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide is C[C@H](NCCCS(N)(=O)=O)c1ccccc1Cl.
What is the InChIKey of 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide?
The InChIKey is UGRDDLXBFZDWSA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-9(10-5-2-3-6-11(10)12)14-7-4-8-17(13,15)16/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,13,15,16)/t9-/m0/s1.
What are the key properties of 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide?
3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide is sourced from PubChem (CID 94036457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).