N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide

C8H11N3O4S — CID 62150039

IUPACN-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
SMILESCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC
InChIInChI=1S/C8H11N3O4S/c1-9-7-4-3-6(11(12)13)5-8(7)16(14,15)10-2/h3-5,9-10H,1-2H3
InChIKeyLYMBHGRDALATSC-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.54
Rot. Bonds4

About N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide

N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide (PubChem CID 62150039) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
PubChem CID62150039
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC NameN-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
SMILESCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC
InChIInChI=1S/C8H11N3O4S/c1-9-7-4-3-6(11(12)13)5-8(7)16(14,15)10-2/h3-5,9-10H,1-2H3
InChIKeyLYMBHGRDALATSC-UHFFFAOYSA-N
XLogP0.54
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.54
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-(butylamino)-N-methyl-5-nitrobenzenesulfonamide
CID 155168019
N-(2,2-dimethylcyclopropyl)-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62157307
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
2-(methylamino)-5-nitro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227659
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
N-[2-(dimethylamino)propyl]-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62158813
2-ethyl-N-methyl-4-nitrobenzenesulfonamide
CID 158476793
N-(4-methoxybutyl)-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62158578
N-hexan-2-yl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62199906
2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 62150398
2-(methylamino)-5-nitro-N,N-dipropylbenzenesulfonamide
CID 62150589
2-(methylamino)-5-nitro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80584147

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide (CID 62150039) is N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide is CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC.
What is the InChIKey of N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide?
The InChIKey is LYMBHGRDALATSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-9-7-4-3-6(11(12)13)5-8(7)16(14,15)10-2/h3-5,9-10H,1-2H3.
What are the key properties of N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide?
N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide has a molecular weight of 245.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 62150039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).