N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide

C14H14Cl2N2O2S — CID 43605705

IUPACN-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-11-7-4-8-13(14(11)16)21(19,20)18-9-12(17)10-5-2-1-3-6-10/h1-8,12,18H,9,17H2
InChIKeyZZNWTCJAOGGRBM-UHFFFAOYSA-N
MW345.25 g/mol
LogP2.97
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide

N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide (PubChem CID 43605705) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
PubChem CID43605705
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC NameN-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-11-7-4-8-13(14(11)16)21(19,20)18-9-12(17)10-5-2-1-3-6-10/h1-8,12,18H,9,17H2
InChIKeyZZNWTCJAOGGRBM-UHFFFAOYSA-N
XLogP2.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 119976246
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
CID 84591138
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide (CID 43605705) is N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide is NC(CNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is ZZNWTCJAOGGRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-11-7-4-8-13(14(11)16)21(19,20)18-9-12(17)10-5-2-1-3-6-10/h1-8,12,18H,9,17H2.
What are the key properties of N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide?
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 43605705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).