N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide

C15H23NO4S2 — CID 7999416

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C15H23NO4S2/c1-10-8-11(2)13(4)15(12(10)3)22(19,20)16(5)14-6-7-21(17,18)9-14/h8,14H,6-7,9H2,1-5H3/t14-/m0/s1
InChIKeyYERVXFSYPXWYGK-AWEZNQCLSA-N
MW345.49 g/mol
LogP1.73
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide (PubChem CID 7999416) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide
PubChem CID7999416
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C15H23NO4S2/c1-10-8-11(2)13(4)15(12(10)3)22(19,20)16(5)14-6-7-21(17,18)9-14/h8,14H,6-7,9H2,1-5H3/t14-/m0/s1
InChIKeyYERVXFSYPXWYGK-AWEZNQCLSA-N
XLogP1.73
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 42912908
3-amino-N-(1,1-dioxothiolan-3-yl)-N,4,5-trimethylbenzenesulfonamide
CID 43648472
N-(1,1-dioxothiolan-3-yl)-2,3,5,6-tetramethyl-N-prop-2-ynylbenzenesulfonamide
CID 60542288
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,4-trimethylbenzenesulfonamide
CID 129370634
4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 43648502
3-chloro-N-(1,1-dioxothiolan-3-yl)-N,4-dimethylbenzenesulfonamide
CID 47190072
N-(1,1-dioxothiolan-3-yl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 47190070
4-cyano-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbenzenesulfonamide
CID 106832945
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 35324512
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N,2,3-trimethylbenzenesulfonamide
CID 110758610
(3S)-1,1-dioxo-N'-(2,3,5,6-tetramethylphenyl)sulfonylthiolane-3-carbohydrazide
CID 8843843

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide (CID 7999416) is N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The InChIKey is YERVXFSYPXWYGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-10-8-11(2)13(4)15(12(10)3)22(19,20)16(5)14-6-7-21(17,18)9-14/h8,14H,6-7,9H2,1-5H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 7999416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).