N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide

C19H22ClN3O4S — CID 11201055

IUPACN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O4S/c20-15-6-4-14(5-7-15)12-13-21-18-2-1-3-19(18)22-28(26,27)17-10-8-16(9-11-17)23(24)25/h4-11,18-19,21-22H,1-3,12-13H2/t18-,19-/m1/s1
InChIKeyGZPVTDCBERQUBB-RTBURBONSA-N
MW423.92 g/mol
LogP3.28
Rot. Bonds8

About N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide

N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide (PubChem CID 11201055) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide
PubChem CID11201055
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC NameN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O4S/c20-15-6-4-14(5-7-15)12-13-21-18-2-1-3-19(18)22-28(26,27)17-10-8-16(9-11-17)23(24)25/h4-11,18-19,21-22H,1-3,12-13H2/t18-,19-/m1/s1
InChIKeyGZPVTDCBERQUBB-RTBURBONSA-N
XLogP3.28
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 61220239
N-(2-bromocyclohexyl)-4-nitrobenzenesulfonamide
CID 106441050
N-[(1S,2R)-2-hydroxycyclohexyl]-4-nitrobenzenesulfonamide
CID 40617850
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide
CID 10295688
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763
2-[2-(4-nitrophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103243126
2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17208597
sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 23699670
1-N,2-N-bis[(4-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040612
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
CID 30127509

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide (CID 11201055) is N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide?
The InChIKey is GZPVTDCBERQUBB-RTBURBONSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c20-15-6-4-14(5-7-15)12-13-21-18-2-1-3-19(18)22-28(26,27)17-10-8-16(9-11-17)23(24)25/h4-11,18-19,21-22H,1-3,12-13H2/t18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide?
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide has a molecular weight of 423.92 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 11201055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).