N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride

C10H16Cl2N2O3S — CID 120713181

IUPACN-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H15ClN2O3S.ClH/c1-7(6-12)13-17(14,15)10-5-8(11)3-4-9(10)16-2;/h3-5,7,13H,6,12H2,1-2H3;1H/t7-;/m0./s1
InChIKeyBPTYPUWEBKBMMF-FJXQXJEOSA-N
MW315.22 g/mol
LogP1.40
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 120713181) has the molecular formula C10H16Cl2N2O3S and a molecular weight of 315.22 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID120713181
Molecular FormulaC10H16Cl2N2O3S
Molecular Weight315.22 g/mol
Exact Mass314.03
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H15ClN2O3S.ClH/c1-7(6-12)13-17(14,15)10-5-8(11)3-4-9(10)16-2;/h3-5,7,13H,6,12H2,1-2H3;1H/t7-;/m0./s1
InChIKeyBPTYPUWEBKBMMF-FJXQXJEOSA-N
XLogP1.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride 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-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790
CID 70601990
CID 70601990
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710993
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride (CID 120713181) is N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride is COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is BPTYPUWEBKBMMF-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H15ClN2O3S.ClH/c1-7(6-12)13-17(14,15)10-5-8(11)3-4-9(10)16-2;/h3-5,7,13H,6,12H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 315.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120713181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).