N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide

C10H11Cl3N2O3S — CID 110839455

IUPACN-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
SMILESNCCc1ccc(S(=O)(=O)NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H11Cl3N2O3S/c11-10(12,13)9(16)15-19(17,18)8-3-1-7(2-4-8)5-6-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyHFMGWWUOMJLFRD-UHFFFAOYSA-N
MW345.64 g/mol
LogP1.36
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide

N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide (PubChem CID 110839455) has the molecular formula C10H11Cl3N2O3S and a molecular weight of 345.64 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
PubChem CID110839455
Molecular FormulaC10H11Cl3N2O3S
Molecular Weight345.64 g/mol
Exact Mass343.96
IUPAC NameN-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
SMILESNCCc1ccc(S(=O)(=O)NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H11Cl3N2O3S/c11-10(12,13)9(16)15-19(17,18)8-3-1-7(2-4-8)5-6-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyHFMGWWUOMJLFRD-UHFFFAOYSA-N
XLogP1.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.64
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
CID 110838915
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide
CID 110839422
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438
4-amino-5-[[4-(2-aminoethyl)phenyl]sulfonylamino]-5-oxopentanoic acid
CID 110839428
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine
CID 63203657
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-hexan-3-ylurea
CID 142963691
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
2-amino-N-(4-chlorophenyl)sulfonylacetamide
CID 23501070

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide (CID 110839455) is N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide is NCCc1ccc(S(=O)(=O)NC(=O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide?
The InChIKey is HFMGWWUOMJLFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O3S/c11-10(12,13)9(16)15-19(17,18)8-3-1-7(2-4-8)5-6-14/h1-4H,5-6,14H2,(H,15,16).
What are the key properties of N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide?
N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide has a molecular weight of 345.64 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide is sourced from PubChem (CID 110839455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).