N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide

C17H17NO4S2 — CID 2949811

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO4S2/c1-14-6-5-7-15(12-14)18(16-10-11-23(19,20)13-16)24(21,22)17-8-3-2-4-9-17/h2-12,16H,13H2,1H3
InChIKeyQQTFBGYTPRNKGU-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.50
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 2949811) has the molecular formula C17H17NO4S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide
PubChem CID2949811
Molecular FormulaC17H17NO4S2
Molecular Weight363.46 g/mol
Exact Mass363.06
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO4S2/c1-14-6-5-7-15(12-14)18(16-10-11-23(19,20)13-16)24(21,22)17-8-3-2-4-9-17/h2-12,16H,13H2,1H3
InChIKeyQQTFBGYTPRNKGU-UHFFFAOYSA-N
XLogP2.50
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide (CID 2949811) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is QQTFBGYTPRNKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S2/c1-14-6-5-7-15(12-14)18(16-10-11-23(19,20)13-16)24(21,22)17-8-3-2-4-9-17/h2-12,16H,13H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2949811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).