N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide

C17H25NO6S2 — CID 55578389

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1OCC
InChIInChI=1S/C17H25NO6S2/c1-3-23-16-8-7-15(11-17(16)24-4-2)26(21,22)18(13-5-6-13)14-9-10-25(19,20)12-14/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3
InChIKeyJVWWOSHPMRPFNR-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.82
Rot. Bonds8

About N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide (PubChem CID 55578389) has the molecular formula C17H25NO6S2 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide
PubChem CID55578389
Molecular FormulaC17H25NO6S2
Molecular Weight403.52 g/mol
Exact Mass403.11
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1OCC
InChIInChI=1S/C17H25NO6S2/c1-3-23-16-8-7-15(11-17(16)24-4-2)26(21,22)18(13-5-6-13)14-9-10-25(19,20)12-14/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3
InChIKeyJVWWOSHPMRPFNR-UHFFFAOYSA-N
XLogP1.82
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 75905616
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 51284591
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 56684512
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 1251787
4-bromo-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52541834
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 51284603
N-[3-[[(5-acetamido-2-ethoxyphenyl)sulfonyl-(1,1-dioxothiolan-3-yl)amino]-(1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide
CID 164663221
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
3-chloro-4-cyano-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52707794
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55578239

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide (CID 55578389) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1OCC.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide?
The InChIKey is JVWWOSHPMRPFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO6S2/c1-3-23-16-8-7-15(11-17(16)24-4-2)26(21,22)18(13-5-6-13)14-9-10-25(19,20)12-14/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide has a molecular weight of 403.52 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 55578389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).