N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide

C19H24N2O6S — CID 17138398

IUPACN-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide
SMILESCC1(C)OC(=O)C(=CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C19H24N2O6S/c1-19(2)26-17(22)16(18(23)27-19)12-20-13-8-10-15(11-9-13)28(24,25)21-14-6-4-3-5-7-14/h8-12,14,20-21H,3-7H2,1-2H3
InChIKeyHSUOXQNSTNOAKL-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.43
Rot. Bonds5

About N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide

N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide (PubChem CID 17138398) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide
PubChem CID17138398
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide
SMILESCC1(C)OC(=O)C(=CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C19H24N2O6S/c1-19(2)26-17(22)16(18(23)27-19)12-20-13-8-10-15(11-9-13)28(24,25)21-14-6-4-3-5-7-14/h8-12,14,20-21H,3-7H2,1-2H3
InChIKeyHSUOXQNSTNOAKL-UHFFFAOYSA-N
XLogP2.43
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide (CID 17138398) is N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide is CC1(C)OC(=O)C(=CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C(=O)O1.
What is the InChIKey of N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide?
The InChIKey is HSUOXQNSTNOAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-19(2)26-17(22)16(18(23)27-19)12-20-13-8-10-15(11-9-13)28(24,25)21-14-6-4-3-5-7-14/h8-12,14,20-21H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide?
N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide is sourced from PubChem (CID 17138398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).