4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride

C12H19ClN4O5S — CID 119305436

IUPAC4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H18N4O5S.ClH/c13-7-1-2-12(17)14-8-9-15-22(20,21)11-5-3-10(4-6-11)16(18)19;/h3-6,15H,1-2,7-9,13H2,(H,14,17);1H
InChIKeyGMJAVAKQJWKEEA-UHFFFAOYSA-N
MW366.83 g/mol
LogP0.15
Rot. Bonds9

About 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride

4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride (PubChem CID 119305436) has the molecular formula C12H19ClN4O5S and a molecular weight of 366.83 g/mol. Its IUPAC name is 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
PubChem CID119305436
Molecular FormulaC12H19ClN4O5S
Molecular Weight366.83 g/mol
Exact Mass366.08
IUPAC Name4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H18N4O5S.ClH/c13-7-1-2-12(17)14-8-9-15-22(20,21)11-5-3-10(4-6-11)16(18)19;/h3-6,15H,1-2,7-9,13H2,(H,14,17);1H
InChIKeyGMJAVAKQJWKEEA-UHFFFAOYSA-N
XLogP0.15
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 50.15
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
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708
N-(3-aminopropyl)-4-(4-nitroanilino)butanamide;hydrochloride
CID 119407663
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119305426
2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride
CID 119752398
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride (CID 119305436) is 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride?
The InChIKey is GMJAVAKQJWKEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5S.ClH/c13-7-1-2-12(17)14-8-9-15-22(20,21)11-5-3-10(4-6-11)16(18)19;/h3-6,15H,1-2,7-9,13H2,(H,14,17);1H.
What are the key properties of 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride?
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride has a molecular weight of 366.83 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119305436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).