N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide

C9H13ClN2O2S — CID 104873370

IUPACN-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H13ClN2O2S/c1-7(6-11)12-15(13,14)9-5-3-2-4-8(9)10/h2-5,7,12H,6,11H2,1H3/t7-/m1/s1
InChIKeyAQAYLADZKGKIRG-SSDOTTSWSA-N
MW248.73 g/mol
LogP0.97
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide

N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide (PubChem CID 104873370) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
PubChem CID104873370
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H13ClN2O2S/c1-7(6-11)12-15(13,14)9-5-3-2-4-8(9)10/h2-5,7,12H,6,11H2,1H3/t7-/m1/s1
InChIKeyAQAYLADZKGKIRG-SSDOTTSWSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
N-[(2S)-1-aminopropan-2-yl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 120713101
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
2-[(2-chlorophenyl)sulfonylamino]propanethioamide
CID 61124636
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 69464437

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide (CID 104873370) is N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide is C[C@H](CN)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide?
The InChIKey is AQAYLADZKGKIRG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-7(6-11)12-15(13,14)9-5-3-2-4-8(9)10/h2-5,7,12H,6,11H2,1H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide?
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide has a molecular weight of 248.73 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 104873370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).