N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide

C15H17ClN2O2S — CID 80505183

IUPACN-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
SMILESNC(CCNS(=O)(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H17ClN2O2S/c16-13-8-4-5-9-15(13)21(19,20)18-11-10-14(17)12-6-2-1-3-7-12/h1-9,14,18H,10-11,17H2
InChIKeyXGTGEZQDNDETHW-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.71
Rot. Bonds6

About N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide

N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide (PubChem CID 80505183) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
PubChem CID80505183
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
SMILESNC(CCNS(=O)(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H17ClN2O2S/c16-13-8-4-5-9-15(13)21(19,20)18-11-10-14(17)12-6-2-1-3-7-12/h1-9,14,18H,10-11,17H2
InChIKeyXGTGEZQDNDETHW-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
CID 63251282
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71787723
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine
CID 80505453
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide
CID 99872882
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide (CID 80505183) is N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide is NC(CCNS(=O)(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide?
The InChIKey is XGTGEZQDNDETHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-13-8-4-5-9-15(13)21(19,20)18-11-10-14(17)12-6-2-1-3-7-12/h1-9,14,18H,10-11,17H2.
What are the key properties of N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide?
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 80505183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).