N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide

C24H41N2O3PS — CID 11248370

IUPACN-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide
SMILESCCCCP(CCCC)(CCCC)=Nc1ccccc1S(=O)(=O)NC1CCC=CC1O
InChIInChI=1S/C24H41N2O3PS/c1-4-7-18-30(19-8-5-2,20-9-6-3)25-22-15-11-13-17-24(22)31(28,29)26-21-14-10-12-16-23(21)27/h11-13,15-17,21,23,26-27H,4-10,14,18-20H2,1-3H3
InChIKeyGGYDMBRRBFLONI-UHFFFAOYSA-N
MW468.64 g/mol
LogP6.28
Rot. Bonds13

About N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide

N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide (PubChem CID 11248370) has the molecular formula C24H41N2O3PS and a molecular weight of 468.64 g/mol. Its IUPAC name is N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide
PubChem CID11248370
Molecular FormulaC24H41N2O3PS
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC NameN-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide
SMILESCCCCP(CCCC)(CCCC)=Nc1ccccc1S(=O)(=O)NC1CCC=CC1O
InChIInChI=1S/C24H41N2O3PS/c1-4-7-18-30(19-8-5-2,20-9-6-3)25-22-15-11-13-17-24(22)31(28,29)26-21-14-10-12-16-23(21)27/h11-13,15-17,21,23,26-27H,4-10,14,18-20H2,1-3H3
InChIKeyGGYDMBRRBFLONI-UHFFFAOYSA-N
XLogP6.28
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide?
The IUPAC name of N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide (CID 11248370) is N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide is CCCCP(CCCC)(CCCC)=Nc1ccccc1S(=O)(=O)NC1CCC=CC1O.
What is the InChIKey of N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide?
The InChIKey is GGYDMBRRBFLONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N2O3PS/c1-4-7-18-30(19-8-5-2,20-9-6-3)25-22-15-11-13-17-24(22)31(28,29)26-21-14-10-12-16-23(21)27/h11-13,15-17,21,23,26-27H,4-10,14,18-20H2,1-3H3.
What are the key properties of N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide?
N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide has a molecular weight of 468.64 g/mol, XLogP of 6.28, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohex-3-en-1-yl)-2-[(tributyl-λ5-phosphanylidene)amino]benzenesulfonamide is sourced from PubChem (CID 11248370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).