N-(2-ethylphenyl)-4-nitrobenzenesulfonamide

C14H14N2O4S — CID 3980128

IUPACN-(2-ethylphenyl)-4-nitrobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O4S/c1-2-11-5-3-4-6-14(11)15-21(19,20)13-9-7-12(8-10-13)16(17)18/h3-10,15H,2H2,1H3
InChIKeyTYRYZRCQWQFBOP-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.96
Rot. Bonds5

About N-(2-ethylphenyl)-4-nitrobenzenesulfonamide

N-(2-ethylphenyl)-4-nitrobenzenesulfonamide (PubChem CID 3980128) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-nitrobenzenesulfonamide
PubChem CID3980128
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(2-ethylphenyl)-4-nitrobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O4S/c1-2-11-5-3-4-6-14(11)15-21(19,20)13-9-7-12(8-10-13)16(17)18/h3-10,15H,2H2,1H3
InChIKeyTYRYZRCQWQFBOP-UHFFFAOYSA-N
XLogP2.96
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623
N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide
CID 122158378
3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8515892
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696858
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(2-ethylphenyl)-2-(4-nitrophenyl)sulfonylbenzamide
CID 1310421
4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 2840601
N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2225731
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-4-nitrobenzenesulfonamide (CID 3980128) is N-(2-ethylphenyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-4-nitrobenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-nitrobenzenesulfonamide?
The InChIKey is TYRYZRCQWQFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-2-11-5-3-4-6-14(11)15-21(19,20)13-9-7-12(8-10-13)16(17)18/h3-10,15H,2H2,1H3.
What are the key properties of N-(2-ethylphenyl)-4-nitrobenzenesulfonamide?
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 3980128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).