N-heptyl-2,5-dimethoxybenzenesulfonamide

C15H25NO4S — CID 19681274

IUPACN-heptyl-2,5-dimethoxybenzenesulfonamide
SMILESCCCCCCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO4S/c1-4-5-6-7-8-11-16-21(17,18)15-12-13(19-2)9-10-14(15)20-3/h9-10,12,16H,4-8,11H2,1-3H3
InChIKeyBVHAZUIKRDHIPA-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.95
Rot. Bonds10

About N-heptyl-2,5-dimethoxybenzenesulfonamide

N-heptyl-2,5-dimethoxybenzenesulfonamide (PubChem CID 19681274) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-heptyl-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-heptyl-2,5-dimethoxybenzenesulfonamide
PubChem CID19681274
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-heptyl-2,5-dimethoxybenzenesulfonamide
SMILESCCCCCCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO4S/c1-4-5-6-7-8-11-16-21(17,18)15-12-13(19-2)9-10-14(15)20-3/h9-10,12,16H,4-8,11H2,1-3H3
InChIKeyBVHAZUIKRDHIPA-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide
CID 15034440
2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
CID 39454552
butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]acetate
CID 3688922
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 141008380
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,5-dimethoxybenzenesulfonamide
CID 19681035

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-heptyl-2,5-dimethoxybenzenesulfonamide (CID 19681274) is N-heptyl-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-heptyl-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-heptyl-2,5-dimethoxybenzenesulfonamide is CCCCCCCNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-heptyl-2,5-dimethoxybenzenesulfonamide?
The InChIKey is BVHAZUIKRDHIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-4-5-6-7-8-11-16-21(17,18)15-12-13(19-2)9-10-14(15)20-3/h9-10,12,16H,4-8,11H2,1-3H3.
What are the key properties of N-heptyl-2,5-dimethoxybenzenesulfonamide?
N-heptyl-2,5-dimethoxybenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 19681274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).