N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide

C14H20N2O4S — CID 3319709

IUPACN-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O4S/c1-2-15(12-6-4-3-5-7-12)21(19,20)14-10-8-13(9-11-14)16(17)18/h8-12H,2-7H2,1H3
InChIKeyYSMLCBJHARVVPF-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.94
Rot. Bonds5

About N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide

N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide (PubChem CID 3319709) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
PubChem CID3319709
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O4S/c1-2-15(12-6-4-3-5-7-12)21(19,20)14-10-8-13(9-11-14)16(17)18/h8-12H,2-7H2,1H3
InChIKeyYSMLCBJHARVVPF-UHFFFAOYSA-N
XLogP2.94
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
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-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 52568483
N-cyclopentyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43541535
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
N-cyclopropyl-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 24679119
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43662724
N-cyclohexyl-N-isocyanatosulfonyl-4-nitrobenzenesulfonamide
CID 151221766
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
N-cyclopropyl-N-ethyl-4-methoxy-3-nitrobenzenesulfonamide
CID 24679110
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82854442

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide (CID 3319709) is N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide?
The InChIKey is YSMLCBJHARVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-15(12-6-4-3-5-7-12)21(19,20)14-10-8-13(9-11-14)16(17)18/h8-12H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide?
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 3319709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).