3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide

C14H14Cl2N2O2S — CID 43104208

IUPAC3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-9(17)10-3-2-4-12(7-10)21(19,20)18-11-5-6-13(15)14(16)8-11/h2-9,18H,17H2,1H3
InChIKeyLFRDQYDIYMYQNX-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.81
Rot. Bonds4

About 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide

3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide (PubChem CID 43104208) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
PubChem CID43104208
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-9(17)10-3-2-4-12(7-10)21(19,20)18-11-5-6-13(15)14(16)8-11/h2-9,18H,17H2,1H3
InChIKeyLFRDQYDIYMYQNX-UHFFFAOYSA-N
XLogP3.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 65437568
3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 43094459
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657146
3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43107586
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107595189

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide (CID 43104208) is 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is LFRDQYDIYMYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-9(17)10-3-2-4-12(7-10)21(19,20)18-11-5-6-13(15)14(16)8-11/h2-9,18H,17H2,1H3.
What are the key properties of 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide?
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 43104208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).