N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

C11H16ClN3O3S — CID 119383880

IUPACN-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN
InChIInChI=1S/C11H16ClN3O3S/c1-8(11(16)14-7-6-13)15-19(17,18)10-4-2-9(12)3-5-10/h2-5,8,15H,6-7,13H2,1H3,(H,14,16)
InChIKeyCNBMLTVARGJOOJ-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.08
Rot. Bonds6

About N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 119383880) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID119383880
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC NameN-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN
InChIInChI=1S/C11H16ClN3O3S/c1-8(11(16)14-7-6-13)15-19(17,18)10-4-2-9(12)3-5-10/h2-5,8,15H,6-7,13H2,1H3,(H,14,16)
InChIKeyCNBMLTVARGJOOJ-UHFFFAOYSA-N
XLogP0.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide
CID 55939921
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 154872445
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 32996069
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (CID 119383880) is N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is CNBMLTVARGJOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-8(11(16)14-7-6-13)15-19(17,18)10-4-2-9(12)3-5-10/h2-5,8,15H,6-7,13H2,1H3,(H,14,16).
What are the key properties of N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 305.79 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119383880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).