N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide

C14H15N3O5S — CID 133329243

IUPACN,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
SMILESCc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O5S/c1-10-8-14(15-9-13(10)17(18)19)22-11-4-6-12(7-5-11)23(20,21)16(2)3/h4-9H,1-3H3
InChIKeyDHGXHUUJTVRERE-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.34
Rot. Bonds5

About N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide

N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide (PubChem CID 133329243) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
PubChem CID133329243
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC NameN,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
SMILESCc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O5S/c1-10-8-14(15-9-13(10)17(18)19)22-11-4-6-12(7-5-11)23(20,21)16(2)3/h4-9H,1-3H3
InChIKeyDHGXHUUJTVRERE-UHFFFAOYSA-N
XLogP2.34
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
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

4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
CID 133339789
2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107672545
4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
CID 133328894
(4-methyl-5-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 86079677
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231
2-(difluoromethoxy)-4-methyl-5-nitropyridine
CID 171503638
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
5-nitro-2,4-diphenoxypyridine
CID 139217922
(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
CID 87240394
3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanone
CID 133343409
4-fluoro-N-methyl-N-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 31244284
4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide (CID 133329243) is N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide is Cc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)ncc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide?
The InChIKey is DHGXHUUJTVRERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-10-8-14(15-9-13(10)17(18)19)22-11-4-6-12(7-5-11)23(20,21)16(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide?
N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide has a molecular weight of 337.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide is sourced from PubChem (CID 133329243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).