N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide

C14H15N3O4S — CID 154750058

IUPACN-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O4S/c1-2-16(13-7-9-15-10-8-13)22(20,21)11-12-3-5-14(6-4-12)17(18)19/h3-10H,2,11H2,1H3
InChIKeyHVYIWQKOMDPHLN-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.35
Rot. Bonds6

About N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide

N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide (PubChem CID 154750058) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide
PubChem CID154750058
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O4S/c1-2-16(13-7-9-15-10-8-13)22(20,21)11-12-3-5-14(6-4-12)17(18)19/h3-10H,2,11H2,1H3
InChIKeyHVYIWQKOMDPHLN-UHFFFAOYSA-N
XLogP2.35
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
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

1-(4-nitrophenyl)-N,N-dipropylmethanesulfonamide
CID 52561105
1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide
CID 56587034
N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide
CID 106936457
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
4-nitropyridine;hydrate
CID 132647818
N-butyl-N-(4-nitrophenyl)pyridin-4-amine
CID 125493735
N-ethyl-2-(methylamino)-N-pyridin-4-ylethanesulfonamide
CID 106936354
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-methyl-2-(4-nitrophenyl)-N-(1-pyridin-4-ylethyl)ethanesulfonamide
CID 75518555
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 55913663
2-methyl-2-[methyl-[(4-nitrophenyl)methylsulfonyl]amino]propanoic acid
CID 62819052
1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 17293373

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide?
The IUPAC name of N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide (CID 154750058) is N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide.
What is the SMILES notation for N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide?
The canonical SMILES for N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide is CCN(c1ccncc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide?
The InChIKey is HVYIWQKOMDPHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-2-16(13-7-9-15-10-8-13)22(20,21)11-12-3-5-14(6-4-12)17(18)19/h3-10H,2,11H2,1H3.
What are the key properties of N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide?
N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide is sourced from PubChem (CID 154750058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).