N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide

C14H20N2O5S — CID 1379254

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)C2CCCCC2)cc1
InChIInChI=1S/C14H20N2O5S/c17-11-10-15(12-4-2-1-3-5-12)22(20,21)14-8-6-13(7-9-14)16(18)19/h6-9,12,17H,1-5,10-11H2
InChIKeyCPXUYXQYWORDLK-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.91
Rot. Bonds6

About N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide

N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide (PubChem CID 1379254) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
PubChem CID1379254
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)C2CCCCC2)cc1
InChIInChI=1S/C14H20N2O5S/c17-11-10-15(12-4-2-1-3-5-12)22(20,21)14-8-6-13(7-9-14)16(18)19/h6-9,12,17H,1-5,10-11H2
InChIKeyCPXUYXQYWORDLK-UHFFFAOYSA-N
XLogP1.91
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-1-(4-nitrophenyl)sulfonylpiperidine
CID 2842827
2-Ethyl-1-[(4-nitrophenyl)sulfonyl]piperidine
CID 2787058
N-(2-Morpholin-4-yl-ethyl)-4-nitro-benzenesulfonamide
CID 743362
Benzenesulfonamide, N-cyclohexyl-N-methyl-2-nitro-
CID 116813
4-[(4-Nitrophenyl)sulfonyl]morpholine
CID 236269
N-(2-Hydroxy-3-piperidin-1-yl-propyl)-4-nitro-N-phenyl-benzenesulfonamide
CID 2880679
2-(N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 362730
1-(4-Nitro benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 823959
N-(2-Hydroxy-3-piperidin-1-yl-propyl)-N-(4-nitro-phenyl)-benzenesulfonamide
CID 2884220
4-(Hydroxy(oxido)amino)-N-(4-morpholinyl)benzenesulfonamide
CID 221324
4-nitro-N,N-dipropylbenzenesulfonamide
CID 232622
2-[4-(4-Nitrobenzenesulfonyl)piperazin-1-yl]ethanol
CID 694602

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide (CID 1379254) is N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The InChIKey is CPXUYXQYWORDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c17-11-10-15(12-4-2-1-3-5-12)22(20,21)14-8-6-13(7-9-14)16(18)19/h6-9,12,17H,1-5,10-11H2.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 1379254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).