N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide

C15H26N2O4S2 — CID 15040315

IUPACN-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O4S2/c1-3-4-5-6-7-8-13-23(20,21)17-15-11-9-14(10-12-15)16-22(2,18)19/h9-12,16-17H,3-8,13H2,1-2H3
InChIKeyZYPLTEHEABQWQR-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.16
Rot. Bonds11

About N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide

N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide (PubChem CID 15040315) has the molecular formula C15H26N2O4S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
PubChem CID15040315
Molecular FormulaC15H26N2O4S2
Molecular Weight362.52 g/mol
Exact Mass362.13
IUPAC NameN-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O4S2/c1-3-4-5-6-7-8-13-23(20,21)17-15-11-9-14(10-12-15)16-22(2,18)19/h9-12,16-17H,3-8,13H2,1-2H3
InChIKeyZYPLTEHEABQWQR-UHFFFAOYSA-N
XLogP3.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
trimethyl-[4-(tetradecylsulfonylamino)phenyl]azanium iodide
CID 71524083
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide
CID 19070380
N-(4-methylphenyl)-3-octoxypropane-1-sulfonamide
CID 22889852
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide (CID 15040315) is N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide is CCCCCCCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide?
The InChIKey is ZYPLTEHEABQWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S2/c1-3-4-5-6-7-8-13-23(20,21)17-15-11-9-14(10-12-15)16-22(2,18)19/h9-12,16-17H,3-8,13H2,1-2H3.
What are the key properties of N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide?
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide has a molecular weight of 362.52 g/mol, XLogP of 3.16, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide is sourced from PubChem (CID 15040315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).