N,N-dibenzylthiophene-2-sulfonamide

C18H17NO2S2 — CID 712584

IUPACN,N-dibenzylthiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H17NO2S2/c20-23(21,18-12-7-13-22-18)19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKeyBQLMEULTPNKBRO-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.14
Rot. Bonds6

About N,N-dibenzylthiophene-2-sulfonamide

N,N-dibenzylthiophene-2-sulfonamide (PubChem CID 712584) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N,N-dibenzylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzylthiophene-2-sulfonamide
PubChem CID712584
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC NameN,N-dibenzylthiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H17NO2S2/c20-23(21,18-12-7-13-22-18)19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKeyBQLMEULTPNKBRO-UHFFFAOYSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylthiophene-2-sulfonamide?
The IUPAC name of N,N-dibenzylthiophene-2-sulfonamide (CID 712584) is N,N-dibenzylthiophene-2-sulfonamide.
What is the SMILES notation for N,N-dibenzylthiophene-2-sulfonamide?
The canonical SMILES for N,N-dibenzylthiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzylthiophene-2-sulfonamide?
The InChIKey is BQLMEULTPNKBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c20-23(21,18-12-7-13-22-18)19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2.
What are the key properties of N,N-dibenzylthiophene-2-sulfonamide?
N,N-dibenzylthiophene-2-sulfonamide has a molecular weight of 343.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylthiophene-2-sulfonamide is sourced from PubChem (CID 712584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).