N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide

C17H12ClN3O2S2 — CID 71229061

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccs1
InChIInChI=1S/C17H12ClN3O2S2/c18-13-8-7-11(21-25(22,23)16-6-3-9-24-16)10-12(13)17-19-14-4-1-2-5-15(14)20-17/h1-10,21H,(H,19,20)
InChIKeyJCFXYFNPAKLZEX-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.75
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide (PubChem CID 71229061) has the molecular formula C17H12ClN3O2S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide
PubChem CID71229061
Molecular FormulaC17H12ClN3O2S2
Molecular Weight389.89 g/mol
Exact Mass389.01
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccs1
InChIInChI=1S/C17H12ClN3O2S2/c18-13-8-7-11(21-25(22,23)16-6-3-9-24-16)10-12(13)17-19-14-4-1-2-5-15(14)20-17/h1-10,21H,(H,19,20)
InChIKeyJCFXYFNPAKLZEX-UHFFFAOYSA-N
XLogP4.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 110162739
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]benzamide
CID 123993653
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
CID 168521087
5-[[3-(1H-benzimidazol-2-yl)-4-chloroanilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537735
3-(1H-benzimidazol-2-yl)-4-chloro-N-[(3,5-dimethoxyphenyl)methyl]aniline
CID 70967023
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59243189
2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole
CID 135692686
methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid
CID 57371868
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide (CID 71229061) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccs1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide?
The InChIKey is JCFXYFNPAKLZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S2/c18-13-8-7-11(21-25(22,23)16-6-3-9-24-16)10-12(13)17-19-14-4-1-2-5-15(14)20-17/h1-10,21H,(H,19,20).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide has a molecular weight of 389.89 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71229061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).