4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide

C15H20N2O4S3 — CID 10091688

IUPAC4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide
SMILESCC(C)CNCc1ccccc1S(=O)(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-5-3-4-6-14(12)23(18,19)13-7-15(22-10-13)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
InChIKeyAKJABWRAOULPJF-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.97
Rot. Bonds7

About 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide

4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide (PubChem CID 10091688) has the molecular formula C15H20N2O4S3 and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide
PubChem CID10091688
Molecular FormulaC15H20N2O4S3
Molecular Weight388.54 g/mol
Exact Mass388.06
IUPAC Name4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide
SMILESCC(C)CNCc1ccccc1S(=O)(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-5-3-4-6-14(12)23(18,19)13-7-15(22-10-13)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
InChIKeyAKJABWRAOULPJF-UHFFFAOYSA-N
XLogP1.97
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide (CID 10091688) is 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide is CC(C)CNCc1ccccc1S(=O)(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide?
The InChIKey is AKJABWRAOULPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-5-3-4-6-14(12)23(18,19)13-7-15(22-10-13)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21).
What are the key properties of 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide?
4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide has a molecular weight of 388.54 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 10091688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).