N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide

C12H9Cl2N3O2S2 — CID 78991619

IUPACN-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2N3O2S2/c13-10-5-9(12(14)20-10)21(18,19)15-6-11-16-7-3-1-2-4-8(7)17-11/h1-5,15H,6H2,(H,16,17)
InChIKeyFYKDYIWISJRQKA-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.41
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide

N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 78991619) has the molecular formula C12H9Cl2N3O2S2 and a molecular weight of 362.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID78991619
Molecular FormulaC12H9Cl2N3O2S2
Molecular Weight362.26 g/mol
Exact Mass360.95
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2N3O2S2/c13-10-5-9(12(14)20-10)21(18,19)15-6-11-16-7-3-1-2-4-8(7)17-11/h1-5,15H,6H2,(H,16,17)
InChIKeyFYKDYIWISJRQKA-UHFFFAOYSA-N
XLogP3.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
CID 6736481
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 6735005
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106150581
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorothiophen-2-yl)methanamine
CID 79427479
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]benzenesulfonamide;hydrochloride
CID 163329207

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide (CID 78991619) is N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(NCc1nc2ccccc2[nH]1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is FYKDYIWISJRQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2S2/c13-10-5-9(12(14)20-10)21(18,19)15-6-11-16-7-3-1-2-4-8(7)17-11/h1-5,15H,6H2,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 362.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 78991619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).