2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide

C14H16N4O4S — CID 133462710

IUPAC2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide
SMILESCN(CCc1ccccn1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O
InChIInChI=1S/C14H16N4O4S/c1-17(9-7-11-4-2-3-8-16-11)13-10-12(18(19)20)5-6-14(13)23(15,21)22/h2-6,8,10H,7,9H2,1H3,(H2,15,21,22)
InChIKeyCTOSECHLJYESEC-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.32
Rot. Bonds6

About 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide

2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide (PubChem CID 133462710) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide
PubChem CID133462710
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide
SMILESCN(CCc1ccccn1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O
InChIInChI=1S/C14H16N4O4S/c1-17(9-7-11-4-2-3-8-16-11)13-10-12(18(19)20)5-6-14(13)23(15,21)22/h2-6,8,10H,7,9H2,1H3,(H2,15,21,22)
InChIKeyCTOSECHLJYESEC-UHFFFAOYSA-N
XLogP1.32
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
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

[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol
CID 28963656
4-[methyl(2-pyridin-2-ylethyl)amino]-3-nitro-N-phenylbenzenesulfonamide
CID 9282102
N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 7923071
N-[1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethylideneamino]-2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrobenzenesulfonamide
CID 75215391
2-[3-(2-methyl-5-nitrophenyl)sulfonylpropyl]pyridine
CID 162727354
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenol
CID 136730929
3,5-difluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115506438
2-[methyl(2-methylpropyl)amino]-5-nitrobenzenesulfonamide
CID 47464103
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 23104828
2,4-dinitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 71606096
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110096

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide?
The IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide (CID 133462710) is 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide is CN(CCc1ccccn1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O.
What is the InChIKey of 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide?
The InChIKey is CTOSECHLJYESEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-17(9-7-11-4-2-3-8-16-11)13-10-12(18(19)20)5-6-14(13)23(15,21)22/h2-6,8,10H,7,9H2,1H3,(H2,15,21,22).
What are the key properties of 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide?
2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 133462710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).