N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide

C15H14ClN3O2S2 — CID 75400421

IUPACN-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nccn1Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClN3O2S2/c16-13-6-7-15(22-13)23(20,21)18-10-14-17-8-9-19(14)11-12-4-2-1-3-5-12/h1-9,18H,10-11H2
InChIKeyGPVQXWFTEKUJDV-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.12
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide

N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 75400421) has the molecular formula C15H14ClN3O2S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide
PubChem CID75400421
Molecular FormulaC15H14ClN3O2S2
Molecular Weight367.88 g/mol
Exact Mass367.02
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nccn1Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClN3O2S2/c16-13-6-7-15(22-13)23(20,21)18-10-14-17-8-9-19(14)11-12-4-2-1-3-5-12/h1-9,18H,10-11H2
InChIKeyGPVQXWFTEKUJDV-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide (CID 75400421) is N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(NCc1nccn1Cc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is GPVQXWFTEKUJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S2/c16-13-6-7-15(22-13)23(20,21)18-10-14-17-8-9-19(14)11-12-4-2-1-3-5-12/h1-9,18H,10-11H2.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide?
N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 367.88 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 75400421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).