5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide

C14H21FN2O2S2 — CID 106081559

IUPAC5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(F)c(S(=O)(=O)NC2CCCSC2)c1
InChIInChI=1S/C14H21FN2O2S2/c1-2-16-9-11-5-6-13(15)14(8-11)21(18,19)17-12-4-3-7-20-10-12/h5-6,8,12,16-17H,2-4,7,9-10H2,1H3
InChIKeyUEWZOXMVRHXWHQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.11
Rot. Bonds6

About 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide

5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide (PubChem CID 106081559) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
PubChem CID106081559
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC Name5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(F)c(S(=O)(=O)NC2CCCSC2)c1
InChIInChI=1S/C14H21FN2O2S2/c1-2-16-9-11-5-6-13(15)14(8-11)21(18,19)17-12-4-3-7-20-10-12/h5-6,8,12,16-17H,2-4,7,9-10H2,1H3
InChIKeyUEWZOXMVRHXWHQ-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377
3-(ethylaminomethyl)-2,4-difluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106086315
5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084377
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
CID 107407005
5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 106075371
N-(3,3-dimethylbutyl)-5-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 106085625
2-[(propan-2-ylamino)methyl]-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081448
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065187

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide (CID 106081559) is 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide is CCNCc1ccc(F)c(S(=O)(=O)NC2CCCSC2)c1.
What is the InChIKey of 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide?
The InChIKey is UEWZOXMVRHXWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-2-16-9-11-5-6-13(15)14(8-11)21(18,19)17-12-4-3-7-20-10-12/h5-6,8,12,16-17H,2-4,7,9-10H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide?
5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide is sourced from PubChem (CID 106081559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).