5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride

C7H9ClFNO2S2 — CID 137443218

IUPAC5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
SMILESCN(C)Cc1cc(F)c(S(=O)(=O)Cl)s1
InChIInChI=1S/C7H9ClFNO2S2/c1-10(2)4-5-3-6(9)7(13-5)14(8,11)12/h3H,4H2,1-2H3
InChIKeyLITRSDZQCRRVEF-UHFFFAOYSA-N
MW257.74 g/mol
LogP1.88
Rot. Bonds3

About 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride

5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride (PubChem CID 137443218) has the molecular formula C7H9ClFNO2S2 and a molecular weight of 257.74 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
PubChem CID137443218
Molecular FormulaC7H9ClFNO2S2
Molecular Weight257.74 g/mol
Exact Mass256.97
IUPAC Name5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
SMILESCN(C)Cc1cc(F)c(S(=O)(=O)Cl)s1
InChIInChI=1S/C7H9ClFNO2S2/c1-10(2)4-5-3-6(9)7(13-5)14(8,11)12/h3H,4H2,1-2H3
InChIKeyLITRSDZQCRRVEF-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
(5-Methanesulfonylthiophen-2-yl)methanamine hydrochloride
CID 71756062
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241
2-[2-Fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride
CID 135209814
5-[(Dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid
CID 137443199
1-(4-fluorothiophen-2-yl)-N,N-dimethylmethanamine
CID 137443203
5-[(Dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
CID 137443212
1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine
CID 142522387
N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
CID 142522463
5-(Azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide
CID 146611145
5-[(Cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
CID 146611524
1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine
CID 151290189

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride?
The IUPAC name of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride (CID 137443218) is 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride is CN(C)Cc1cc(F)c(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride?
The InChIKey is LITRSDZQCRRVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFNO2S2/c1-10(2)4-5-3-6(9)7(13-5)14(8,11)12/h3H,4H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride?
5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride has a molecular weight of 257.74 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride is sourced from PubChem (CID 137443218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).