4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide

C14H14Cl2N2O2S — CID 9150572

IUPAC4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-13-2-1-3-14(16)12(13)8-9-18-21(19,20)11-6-4-10(17)5-7-11/h1-7,18H,8-9,17H2
InChIKeyQPMGWSSVQQSTNA-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.10
Rot. Bonds5

About 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide

4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide (PubChem CID 9150572) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide
PubChem CID9150572
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-13-2-1-3-14(16)12(13)8-9-18-21(19,20)11-6-4-10(17)5-7-11/h1-7,18H,8-9,17H2
InChIKeyQPMGWSSVQQSTNA-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide
CID 63237501
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
4-amino-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride
CID 70585913
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 126035196
4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 3754145
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide (CID 9150572) is 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is QPMGWSSVQQSTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-13-2-1-3-14(16)12(13)8-9-18-21(19,20)11-6-4-10(17)5-7-11/h1-7,18H,8-9,17H2.
What are the key properties of 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide?
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9150572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).