4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide

C10H14N2O3S — CID 90392756

IUPAC4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN=O)cc1
InChIInChI=1S/C10H14N2O3S/c1-2-9-3-5-10(6-4-9)16(14,15)12-8-7-11-13/h3-6,12H,2,7-8H2,1H3
InChIKeyZRXOOQSHIHTQCI-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.29
Rot. Bonds6

About 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide

4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide (PubChem CID 90392756) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
PubChem CID90392756
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN=O)cc1
InChIInChI=1S/C10H14N2O3S/c1-2-9-3-5-10(6-4-9)16(14,15)12-8-7-11-13/h3-6,12H,2,7-8H2,1H3
InChIKeyZRXOOQSHIHTQCI-UHFFFAOYSA-N
XLogP1.29
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574101
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
CID 16890812
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789250

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide (CID 90392756) is 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCN=O)cc1.
What is the InChIKey of 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide?
The InChIKey is ZRXOOQSHIHTQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-9-3-5-10(6-4-9)16(14,15)12-8-7-11-13/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide?
4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide has a molecular weight of 242.30 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide is sourced from PubChem (CID 90392756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).