1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride

C14H21ClN4O5S — CID 119305426

IUPAC1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1
InChIInChI=1S/C14H20N4O5S.ClH/c15-14(7-1-2-8-14)13(19)16-9-10-17-24(22,23)12-5-3-11(4-6-12)18(20)21;/h3-6,17H,1-2,7-10,15H2,(H,16,19);1H
InChIKeyCQESHSIDWZDGCL-UHFFFAOYSA-N
MW392.87 g/mol
LogP0.68
Rot. Bonds7

About 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119305426) has the molecular formula C14H21ClN4O5S and a molecular weight of 392.87 g/mol. Its IUPAC name is 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119305426
Molecular FormulaC14H21ClN4O5S
Molecular Weight392.87 g/mol
Exact Mass392.09
IUPAC Name1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1
InChIInChI=1S/C14H20N4O5S.ClH/c15-14(7-1-2-8-14)13(19)16-9-10-17-24(22,23)12-5-3-11(4-6-12)18(20)21;/h3-6,17H,1-2,7-10,15H2,(H,16,19);1H
InChIKeyCQESHSIDWZDGCL-UHFFFAOYSA-N
XLogP0.68
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 50.68
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

1-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704154
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119305436
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708
4-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17192841
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide
CID 119778284
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542
1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
CID 81179172

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119305426) is 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1.
What is the InChIKey of 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is CQESHSIDWZDGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S.ClH/c15-14(7-1-2-8-14)13(19)16-9-10-17-24(22,23)12-5-3-11(4-6-12)18(20)21;/h3-6,17H,1-2,7-10,15H2,(H,16,19);1H.
What are the key properties of 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 392.87 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119305426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).