4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide

C15H23NO4S2 — CID 110757494

IUPAC4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H23NO4S2/c1-3-4-5-13-6-8-15(9-7-13)22(19,20)16(2)14-10-11-21(17,18)12-14/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyJUKFDMNRCRDCPQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.84
Rot. Bonds6

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

4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide (PubChem CID 110757494) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
PubChem CID110757494
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC Name4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H23NO4S2/c1-3-4-5-13-6-8-15(9-7-13)22(19,20)16(2)14-10-11-21(17,18)12-14/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyJUKFDMNRCRDCPQ-UHFFFAOYSA-N
XLogP1.84
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 65481783
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
4-acetyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 3738114
N-butyl-3-[4-(diethylsulfamoyl)phenyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508263
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405
N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 7275916
methyl 4-[[(3S)-1,1-dioxothiolan-3-yl]-methylsulfamoyl]benzoate
CID 26526849
3-chloro-N-(1,1-dioxothiolan-3-yl)-N,4-dimethylbenzenesulfonamide
CID 47190072
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 1251787
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 47113430
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 7260394

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide (CID 110757494) is 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide is CCCCc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The InChIKey is JUKFDMNRCRDCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-3-4-5-13-6-8-15(9-7-13)22(19,20)16(2)14-10-11-21(17,18)12-14/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 110757494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).