4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide

C16H23NO5S2 — CID 110300905

IUPAC4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(OC2CCCC2)ccc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H23NO5S2/c1-12-10-15(22-14-4-2-3-5-14)6-7-16(12)24(20,21)17-13-8-9-23(18,19)11-13/h6-7,10,13-14,17H,2-5,8-9,11H2,1H3
InChIKeyMJAHITDGDSOPEX-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.78
Rot. Bonds5

About 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide

4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide (PubChem CID 110300905) has the molecular formula C16H23NO5S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide
PubChem CID110300905
Molecular FormulaC16H23NO5S2
Molecular Weight373.50 g/mol
Exact Mass373.10
IUPAC Name4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(OC2CCCC2)ccc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H23NO5S2/c1-12-10-15(22-14-4-2-3-5-14)6-7-16(12)24(20,21)17-13-8-9-23(18,19)11-13/h6-7,10,13-14,17H,2-5,8-9,11H2,1H3
InChIKeyMJAHITDGDSOPEX-UHFFFAOYSA-N
XLogP1.78
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 43258077
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 63923380
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-(1,1-dioxothiolan-3-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106059854
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
CID 62162999
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803428
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-4-nitrobenzenesulfonamide
CID 124741614
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 2876523

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide (CID 110300905) is 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide is Cc1cc(OC2CCCC2)ccc1S(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is MJAHITDGDSOPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S2/c1-12-10-15(22-14-4-2-3-5-14)6-7-16(12)24(20,21)17-13-8-9-23(18,19)11-13/h6-7,10,13-14,17H,2-5,8-9,11H2,1H3.
What are the key properties of 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide?
4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 110300905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).