N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide

C14H17FN2O2S2 — CID 86870469

IUPACN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)s1
InChIInChI=1S/C14H17FN2O2S2/c1-10-4-7-14(20-10)21(18,19)16-9-11-5-6-13(17(2)3)12(15)8-11/h4-8,16H,9H2,1-3H3
InChIKeyJXFMILOTYMWXJL-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.74
Rot. Bonds5

About N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide

N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 86870469) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
PubChem CID86870469
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)s1
InChIInChI=1S/C14H17FN2O2S2/c1-10-4-7-14(20-10)21(18,19)16-9-11-5-6-13(17(2)3)12(15)8-11/h4-8,16H,9H2,1-3H3
InChIKeyJXFMILOTYMWXJL-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 62500636
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785688
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 122254104
5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide
CID 110785192
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61215673

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide (CID 86870469) is N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)s1.
What is the InChIKey of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is JXFMILOTYMWXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-10-4-7-14(20-10)21(18,19)16-9-11-5-6-13(17(2)3)12(15)8-11/h4-8,16H,9H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide?
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 86870469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).