3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride

C11H17ClN4O5S — CID 119329222

IUPAC3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S.ClH/c12-6-5-11(16)13-7-8-14-21(19,20)10-4-2-1-3-9(10)15(17)18;/h1-4,14H,5-8,12H2,(H,13,16);1H
InChIKeyJLRMNTTUMHTWKE-UHFFFAOYSA-N
MW352.80 g/mol
LogP-0.24
Rot. Bonds8

About 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride

3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride (PubChem CID 119329222) has the molecular formula C11H17ClN4O5S and a molecular weight of 352.80 g/mol. Its IUPAC name is 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
PubChem CID119329222
Molecular FormulaC11H17ClN4O5S
Molecular Weight352.80 g/mol
Exact Mass352.06
IUPAC Name3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S.ClH/c12-6-5-11(16)13-7-8-14-21(19,20)10-4-2-1-3-9(10)15(17)18;/h1-4,14H,5-8,12H2,(H,13,16);1H
InChIKeyJLRMNTTUMHTWKE-UHFFFAOYSA-N
XLogP-0.24
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide
CID 119329237
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119305436
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939474
N-(2-aminoethyl)-2-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119960164
N-[2-[2-aminoethyl-(2-nitrophenyl)sulfonylamino]ethyl]-2-nitrobenzenesulfonamide
CID 87657934
prop-2-enyl N-[3-[(2-nitrophenyl)sulfonylamino]propyl]carbamate
CID 10497545

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride (CID 119329222) is 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride is Cl.NCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride?
The InChIKey is JLRMNTTUMHTWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S.ClH/c12-6-5-11(16)13-7-8-14-21(19,20)10-4-2-1-3-9(10)15(17)18;/h1-4,14H,5-8,12H2,(H,13,16);1H.
What are the key properties of 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride?
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride has a molecular weight of 352.80 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119329222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).