N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride

C10H16ClN3O4S — CID 119973415

IUPACN-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H15N3O4S.ClH/c1-2-11-7-8-12-18(16,17)10-6-4-3-5-9(10)13(14)15;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKeyNIZRBYOYDNCNBZ-UHFFFAOYSA-N
MW309.78 g/mol
LogP0.90
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride (PubChem CID 119973415) has the molecular formula C10H16ClN3O4S and a molecular weight of 309.78 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
PubChem CID119973415
Molecular FormulaC10H16ClN3O4S
Molecular Weight309.78 g/mol
Exact Mass309.06
IUPAC NameN-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H15N3O4S.ClH/c1-2-11-7-8-12-18(16,17)10-6-4-3-5-9(10)13(14)15;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKeyNIZRBYOYDNCNBZ-UHFFFAOYSA-N
XLogP0.90
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-[2-(ethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 62664934
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 21426690
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
tert-butyl N-[7-[2-[(2-nitrophenyl)sulfonylamino]ethylamino]heptyl]carbamate
CID 11282551
2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide
CID 119329237
2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide
CID 22506600
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
N-(2-aminoethyl)-2-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119960164

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride (CID 119973415) is N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is NIZRBYOYDNCNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S.ClH/c1-2-11-7-8-12-18(16,17)10-6-4-3-5-9(10)13(14)15;/h3-6,11-12H,2,7-8H2,1H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 309.78 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).