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

C14H19NO4S2 — CID 51284591

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO4S2/c1-11-2-6-14(7-3-11)21(18,19)15(12-4-5-12)13-8-9-20(16,17)10-13/h2-3,6-7,12-13H,4-5,8-10H2,1H3
InChIKeyPBTXUYIKWNONHD-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.34
Rot. Bonds4

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

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide (PubChem CID 51284591) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
PubChem CID51284591
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO4S2/c1-11-2-6-14(7-3-11)21(18,19)15(12-4-5-12)13-8-9-20(16,17)10-13/h2-3,6-7,12-13H,4-5,8-10H2,1H3
InChIKeyPBTXUYIKWNONHD-UHFFFAOYSA-N
XLogP1.34
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52541834
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 56684512
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55578239
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 75905616
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 3152086
3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 51284603
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide
CID 55578389
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
3-chloro-4-cyano-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52707794

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide (CID 51284591) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is PBTXUYIKWNONHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-11-2-6-14(7-3-11)21(18,19)15(12-4-5-12)13-8-9-20(16,17)10-13/h2-3,6-7,12-13H,4-5,8-10H2,1H3.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 329.44 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 51284591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).