N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide

C11H17N3O5S — CID 62163370

IUPACN-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide
SMILESCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)COC
InChIInChI=1S/C11H17N3O5S/c1-8(7-19-3)13-20(17,18)11-5-4-9(14(15)16)6-10(11)12-2/h4-6,8,12-13H,7H2,1-3H3
InChIKeyLGGKVWIDPZAISA-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.95
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide

N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide (PubChem CID 62163370) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide
PubChem CID62163370
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC NameN-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide
SMILESCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)COC
InChIInChI=1S/C11H17N3O5S/c1-8(7-19-3)13-20(17,18)11-5-4-9(14(15)16)6-10(11)12-2/h4-6,8,12-13H,7H2,1-3H3
InChIKeyLGGKVWIDPZAISA-UHFFFAOYSA-N
XLogP0.95
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methoxybutyl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62158579
N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 45351483
2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide
CID 62156801
N-hexan-2-yl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62199906
2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147494
N-methyl-2-(methylamino)-N-(3-methylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 62145933
3-amino-N-(1-methoxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 112675246
N-methyl-2-(methylamino)-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 62147014
2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 43325303
2-(methylamino)-N-(3-methylsulfanylpropyl)-4-nitrobenzenesulfonamide
CID 63962710

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide (CID 62163370) is N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide is CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide?
The InChIKey is LGGKVWIDPZAISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-8(7-19-3)13-20(17,18)11-5-4-9(14(15)16)6-10(11)12-2/h4-6,8,12-13H,7H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide?
N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62163370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).