N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride

C14H22ClN3O4S — CID 119981059

IUPACN-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride
SMILESCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-2-11-5-6-12(17(18)19)9-13(11)22(20,21)16-14(10-15)7-3-4-8-14;/h5-6,9,16H,2-4,7-8,10,15H2,1H3;1H
InChIKeySGGFXILWQGUGTN-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.13
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride (PubChem CID 119981059) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride
PubChem CID119981059
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride
SMILESCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-2-11-5-6-12(17(18)19)9-13(11)22(20,21)16-14(10-15)7-3-4-8-14;/h5-6,9,16H,2-4,7-8,10,15H2,1H3;1H
InChIKeySGGFXILWQGUGTN-UHFFFAOYSA-N
XLogP2.13
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.13
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

N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 63889192
N-[1-(aminomethyl)cyclopentyl]-2-methoxy-4-nitrobenzenesulfonamide
CID 119980674
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzenesulfonamide
CID 63888008
N-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 120710284
N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
CID 120585203
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274
2-ethyl-5-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974535
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844866
2-ethyl-N-methyl-4-nitrobenzenesulfonamide
CID 158476793
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-[1-(aminomethyl)cyclopentyl]-2-methyl-6-nitrobenzenesulfonamide
CID 63888405
2-ethyl-N-[2-(methylamino)propyl]-5-nitrobenzenesulfonamide
CID 120825235

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride (CID 119981059) is N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride is CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is SGGFXILWQGUGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-2-11-5-6-12(17(18)19)9-13(11)22(20,21)16-14(10-15)7-3-4-8-14;/h5-6,9,16H,2-4,7-8,10,15H2,1H3;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119981059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).