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

C14H18FNO4S2 — CID 56684512

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1F
InChIInChI=1S/C14H18FNO4S2/c1-10-2-5-13(8-14(10)15)22(19,20)16(11-3-4-11)12-6-7-21(17,18)9-12/h2,5,8,11-12H,3-4,6-7,9H2,1H3
InChIKeyNMBYGACBSIDKRG-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.47
Rot. Bonds4

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

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide (PubChem CID 56684512) has the molecular formula C14H18FNO4S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
PubChem CID56684512
Molecular FormulaC14H18FNO4S2
Molecular Weight347.43 g/mol
Exact Mass347.07
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1F
InChIInChI=1S/C14H18FNO4S2/c1-10-2-5-13(8-14(10)15)22(19,20)16(11-3-4-11)12-6-7-21(17,18)9-12/h2,5,8,11-12H,3-4,6-7,9H2,1H3
InChIKeyNMBYGACBSIDKRG-UHFFFAOYSA-N
XLogP1.47
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 51284603
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 51284591
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 75905616
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-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide
CID 55578389
N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 51965812
3-chloro-N-(1,1-dioxothiolan-3-yl)-N,4-dimethylbenzenesulfonamide
CID 47190072
4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide
CID 51284609
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 47113430

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide (CID 56684512) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1F.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide?
The InChIKey is NMBYGACBSIDKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S2/c1-10-2-5-13(8-14(10)15)22(19,20)16(11-3-4-11)12-6-7-21(17,18)9-12/h2,5,8,11-12H,3-4,6-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide has a molecular weight of 347.43 g/mol, XLogP of 1.47, 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)-3-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 56684512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).