N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide

C14H15N3O4S — CID 18774864

IUPACN-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H15N3O4S/c1-2-3-11-4-7-13(8-5-11)22(20,21)16-14-9-6-12(10-15-14)17(18)19/h4-10H,2-3H2,1H3,(H,15,16)
InChIKeyBGUBVHSSSDSZLC-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.74
Rot. Bonds6

About N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide

N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide (PubChem CID 18774864) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide
PubChem CID18774864
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H15N3O4S/c1-2-3-11-4-7-13(8-5-11)22(20,21)16-14-9-6-12(10-15-14)17(18)19/h4-10H,2-3H2,1H3,(H,15,16)
InChIKeyBGUBVHSSSDSZLC-UHFFFAOYSA-N
XLogP2.74
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
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

N-(5-methoxy-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 67305769
4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 112773266
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
ethane;1-nitro-4-propylbenzene
CID 123575523
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
CID 6411940
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-[5-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 11235986
N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
N-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]benzenesulfonamide
CID 91542721
N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 102675378

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide (CID 18774864) is N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide?
The InChIKey is BGUBVHSSSDSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-2-3-11-4-7-13(8-5-11)22(20,21)16-14-9-6-12(10-15-14)17(18)19/h4-10H,2-3H2,1H3,(H,15,16).
What are the key properties of N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide?
N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 18774864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).