N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide

C17H19NO4S2 — CID 649875

IUPACN-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H19NO4S2/c1-14-7-9-17(10-8-14)24(21,22)18(15-5-3-2-4-6-15)16-11-12-23(19,20)13-16/h2-10,16H,11-13H2,1H3
InChIKeyXFKQZJXIAASPRH-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.38
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 649875) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID649875
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H19NO4S2/c1-14-7-9-17(10-8-14)24(21,22)18(15-5-3-2-4-6-15)16-11-12-23(19,20)13-16/h2-10,16H,11-13H2,1H3
InChIKeyXFKQZJXIAASPRH-UHFFFAOYSA-N
XLogP2.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide (CID 649875) is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is XFKQZJXIAASPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-14-7-9-17(10-8-14)24(21,22)18(15-5-3-2-4-6-15)16-11-12-23(19,20)13-16/h2-10,16H,11-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 365.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 649875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).