4-nitro-N-(2-phenylethyl)benzenesulfonamide

C14H14N2O4S — CID 682201

IUPAC4-nitro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C14H14N2O4S/c17-16(18)13-6-8-14(9-7-13)21(19,20)15-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyUUXNIYKEFYLNFA-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.12
Rot. Bonds6

About 4-nitro-N-(2-phenylethyl)benzenesulfonamide

4-nitro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 682201) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-nitro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID682201
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-nitro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C14H14N2O4S/c17-16(18)13-6-8-14(9-7-13)21(19,20)15-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyUUXNIYKEFYLNFA-UHFFFAOYSA-N
XLogP2.12
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.12
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

3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 15751182
3-chloro-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide
CID 110294516
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542
N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126245131
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-nitrobenzenesulfonamide
CID 90498603
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
N-[2-[3,5-bis[2-[(4-nitrophenyl)sulfonylamino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-4-nitrobenzenesulfonamide
CID 101227903
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-nitro-N-(2-phenylethyl)benzenesulfonamide (CID 682201) is 4-nitro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-nitro-N-(2-phenylethyl)benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-nitro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is UUXNIYKEFYLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-16(18)13-6-8-14(9-7-13)21(19,20)15-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 4-nitro-N-(2-phenylethyl)benzenesulfonamide?
4-nitro-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 682201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).