5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide

C12H11ClF2N2O2S2 — CID 106074625

IUPAC5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)sc1CN
InChIInChI=1S/C12H11ClF2N2O2S2/c1-6-2-11(20-10(6)5-16)21(18,19)17-12-8(13)3-7(14)4-9(12)15/h2-4,17H,5,16H2,1H3
InChIKeyYBGHTMQMMFBTRB-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.25
Rot. Bonds4

About 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106074625) has the molecular formula C12H11ClF2N2O2S2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
PubChem CID106074625
Molecular FormulaC12H11ClF2N2O2S2
Molecular Weight352.82 g/mol
Exact Mass351.99
IUPAC Name5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)sc1CN
InChIInChI=1S/C12H11ClF2N2O2S2/c1-6-2-11(20-10(6)5-16)21(18,19)17-12-8(13)3-7(14)4-9(12)15/h2-4,17H,5,16H2,1H3
InChIKeyYBGHTMQMMFBTRB-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520
5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106071815
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82888796
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106074619
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106076817
5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 75356364
N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087894
N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
CID 83088363

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide (CID 106074625) is 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is YBGHTMQMMFBTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O2S2/c1-6-2-11(20-10(6)5-16)21(18,19)17-12-8(13)3-7(14)4-9(12)15/h2-4,17H,5,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 352.82 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106074625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).