N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide

C15H23NO6S2 — CID 110603011

IUPACN-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H23NO6S2/c1-21-13-5-6-14(22-2)15(10-13)24(19,20)16-8-3-4-12-7-9-23(17,18)11-12/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3
InChIKeyKNNHALPWWBOIEO-UHFFFAOYSA-N
MW377.48 g/mol
LogP1.20
Rot. Bonds8

About N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide

N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 110603011) has the molecular formula C15H23NO6S2 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID110603011
Molecular FormulaC15H23NO6S2
Molecular Weight377.48 g/mol
Exact Mass377.10
IUPAC NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H23NO6S2/c1-21-13-5-6-14(22-2)15(10-13)24(19,20)16-8-3-4-12-7-9-23(17,18)11-12/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3
InChIKeyKNNHALPWWBOIEO-UHFFFAOYSA-N
XLogP1.20
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 110603003
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110419004
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110723011
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide (CID 110603011) is N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is KNNHALPWWBOIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6S2/c1-21-13-5-6-14(22-2)15(10-13)24(19,20)16-8-3-4-12-7-9-23(17,18)11-12/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide?
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 377.48 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110603011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).