N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide

C10H15ClN2O2S — CID 28769588

IUPACN-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCN)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-2-16(14,15)13(8-7-12)10-5-3-9(11)4-6-10/h3-6H,2,7-8,12H2,1H3
InChIKeyNAJNUWYTJHPTHP-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.45
Rot. Bonds5

About N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide

N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide (PubChem CID 28769588) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide
PubChem CID28769588
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCN)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-2-16(14,15)13(8-7-12)10-5-3-9(11)4-6-10/h3-6H,2,7-8,12H2,1H3
InChIKeyNAJNUWYTJHPTHP-UHFFFAOYSA-N
XLogP1.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-chlorophenyl)-N-ethylethenesulfonamide
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N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide
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N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
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1-chloro-N-phenyl-N-propylmethanesulfonamide
CID 118574649
N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 28770445
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908
2-(4-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890339
3-(N-ethylsulfonyl-4-iodoanilino)propanoic acid
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N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide
CID 28769527

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide (CID 28769588) is N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide is CCS(=O)(=O)N(CCN)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide?
The InChIKey is NAJNUWYTJHPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-2-16(14,15)13(8-7-12)10-5-3-9(11)4-6-10/h3-6H,2,7-8,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide?
N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide is sourced from PubChem (CID 28769588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).