N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide

C26H36N2O4S2 — CID 67266397

IUPACN-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
SMILESO=S(=O)(NC(C1CCCCC1)C(NS(=O)(=O)c1ccccc1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C26H36N2O4S2/c29-33(30,23-17-9-3-10-18-23)27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34(31,32)24-19-11-4-12-20-24/h3-4,9-12,17-22,25-28H,1-2,5-8,13-16H2
InChIKeyYSLKWPBWVGPGFQ-UHFFFAOYSA-N
MW504.72 g/mol
LogP4.84
Rot. Bonds9

About N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide

N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide (PubChem CID 67266397) has the molecular formula C26H36N2O4S2 and a molecular weight of 504.72 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
PubChem CID67266397
Molecular FormulaC26H36N2O4S2
Molecular Weight504.72 g/mol
Exact Mass504.21
IUPAC NameN-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
SMILESO=S(=O)(NC(C1CCCCC1)C(NS(=O)(=O)c1ccccc1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C26H36N2O4S2/c29-33(30,23-17-9-3-10-18-23)27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34(31,32)24-19-11-4-12-20-24/h3-4,9-12,17-22,25-28H,1-2,5-8,13-16H2
InChIKeyYSLKWPBWVGPGFQ-UHFFFAOYSA-N
XLogP4.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.72
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
methyl (2S,3R)-2-(benzhydrylideneamino)-3-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 10984145
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide
CID 101151351
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide (CID 67266397) is N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide is O=S(=O)(NC(C1CCCCC1)C(NS(=O)(=O)c1ccccc1)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide?
The InChIKey is YSLKWPBWVGPGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4S2/c29-33(30,23-17-9-3-10-18-23)27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34(31,32)24-19-11-4-12-20-24/h3-4,9-12,17-22,25-28H,1-2,5-8,13-16H2.
What are the key properties of N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide?
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide has a molecular weight of 504.72 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide is sourced from PubChem (CID 67266397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).