4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide

C19H14Cl2N4O2S — CID 91442345

IUPAC4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C19H14Cl2N4O2S/c20-12-10-18(13(21)9-14(12)22)28(26,27)25-15-6-2-1-5-11(15)19-23-16-7-3-4-8-17(16)24-19/h1-10,25H,22H2,(H,23,24)
InChIKeyBWOKCNKXZLGJGT-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.92
Rot. Bonds4

About 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide

4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 91442345) has the molecular formula C19H14Cl2N4O2S and a molecular weight of 433.32 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide
PubChem CID91442345
Molecular FormulaC19H14Cl2N4O2S
Molecular Weight433.32 g/mol
Exact Mass432.02
IUPAC Name4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C19H14Cl2N4O2S/c20-12-10-18(13(21)9-14(12)22)28(26,27)25-15-6-2-1-5-11(15)19-23-16-7-3-4-8-17(16)24-19/h1-10,25H,22H2,(H,23,24)
InChIKeyBWOKCNKXZLGJGT-UHFFFAOYSA-N
XLogP4.92
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide (CID 91442345) is 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1Cl.
What is the InChIKey of 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is BWOKCNKXZLGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2S/c20-12-10-18(13(21)9-14(12)22)28(26,27)25-15-6-2-1-5-11(15)19-23-16-7-3-4-8-17(16)24-19/h1-10,25H,22H2,(H,23,24).
What are the key properties of 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide?
4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 433.32 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 91442345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).