4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide

C20H26N2O6S2 — CID 101075407

IUPAC4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O6S2/c1-27-15-7-11-17(12-8-15)29(23,24)21-19-5-3-4-6-20(19)22-30(25,26)18-13-9-16(28-2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m0/s1
InChIKeyPVKUYVLNTASKJB-PMACEKPBSA-N
MW454.57 g/mol
LogP2.27
Rot. Bonds8

About 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide

4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide (PubChem CID 101075407) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
PubChem CID101075407
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O6S2/c1-27-15-7-11-17(12-8-15)29(23,24)21-19-5-3-4-6-20(19)22-30(25,26)18-13-9-16(28-2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m0/s1
InChIKeyPVKUYVLNTASKJB-PMACEKPBSA-N
XLogP2.27
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
CID 110125489
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide
CID 81259849
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide (CID 101075407) is 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The InChIKey is PVKUYVLNTASKJB-PMACEKPBSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-27-15-7-11-17(12-8-15)29(23,24)21-19-5-3-4-6-20(19)22-30(25,26)18-13-9-16(28-2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 101075407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).