2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride

C10H16ClN3O4S — CID 119973287

IUPAC2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C.Cl
InChIInChI=1S/C10H15N3O4S.ClH/c1-8-7-9(13(14)15)3-4-10(8)18(16,17)12-6-5-11-2;/h3-4,7,11-12H,5-6H2,1-2H3;1H
InChIKeyMODHBUWFCJRXLS-UHFFFAOYSA-N
MW309.78 g/mol
LogP0.82
Rot. Bonds6

About 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride

2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride (PubChem CID 119973287) has the molecular formula C10H16ClN3O4S and a molecular weight of 309.78 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride
PubChem CID119973287
Molecular FormulaC10H16ClN3O4S
Molecular Weight309.78 g/mol
Exact Mass309.06
IUPAC Name2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C.Cl
InChIInChI=1S/C10H15N3O4S.ClH/c1-8-7-9(13(14)15)3-4-10(8)18(16,17)12-6-5-11-2;/h3-4,7,11-12H,5-6H2,1-2H3;1H
InChIKeyMODHBUWFCJRXLS-UHFFFAOYSA-N
XLogP0.82
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 50.82
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

N-hexyl-2-methyl-4-nitrobenzenesulfonamide
CID 37477665
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
N-[2-(2-hydroxypropylamino)ethyl]-2-methyl-4-nitrobenzenesulfonamide
CID 104594003
2-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966622
2,3-dimethyl-N-[3-(methylamino)propyl]-5-nitrobenzenesulfonamide;hydrochloride
CID 119965087
4-fluoro-2-methyl-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 34152190
N-[2-(methylamino)ethyl]-3,5-dinitrobenzenesulfonamide;hydrochloride
CID 14723805
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-(1-amino-2-methylpropan-2-yl)-2-methyl-4-nitrobenzenesulfonamide
CID 63194182
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-nitrobenzenesulfonamide
CID 115753946
2-methyl-4-nitrobenzenesulfonic acid;hydrochloride
CID 88842241
N-methyl-2-[1-(2-methyl-4-nitrophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120718273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride (CID 119973287) is 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride is CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C.Cl.
What is the InChIKey of 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is MODHBUWFCJRXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S.ClH/c1-8-7-9(13(14)15)3-4-10(8)18(16,17)12-6-5-11-2;/h3-4,7,11-12H,5-6H2,1-2H3;1H.
What are the key properties of 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride?
2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 309.78 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).