2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide

C20H21N7O4S2 — CID 71136714

IUPAC2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(N)nc2ccc(-c3cnc(N)c(S(=O)(=O)Nc4ccccc4)c3)cc21
InChIInChI=1S/C20H21N7O4S2/c1-26(2)33(30,31)27-17-10-13(8-9-16(17)24-20(27)22)14-11-18(19(21)23-12-14)32(28,29)25-15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyLIGLARXGCNOGQK-UHFFFAOYSA-N
MW487.57 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide

2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide (PubChem CID 71136714) has the molecular formula C20H21N7O4S2 and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide.

Molecular Properties

Compound Name2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide
PubChem CID71136714
Molecular FormulaC20H21N7O4S2
Molecular Weight487.57 g/mol
Exact Mass487.11
IUPAC Name2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(N)nc2ccc(-c3cnc(N)c(S(=O)(=O)Nc4ccccc4)c3)cc21
InChIInChI=1S/C20H21N7O4S2/c1-26(2)33(30,31)27-17-10-13(8-9-16(17)24-20(27)22)14-11-18(19(21)23-12-14)32(28,29)25-15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyLIGLARXGCNOGQK-UHFFFAOYSA-N
XLogP1.72
TPSA166.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide?
The IUPAC name of 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide (CID 71136714) is 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide.
What is the SMILES notation for 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide?
The canonical SMILES for 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1c(N)nc2ccc(-c3cnc(N)c(S(=O)(=O)Nc4ccccc4)c3)cc21.
What is the InChIKey of 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide?
The InChIKey is LIGLARXGCNOGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O4S2/c1-26(2)33(30,31)27-17-10-13(8-9-16(17)24-20(27)22)14-11-18(19(21)23-12-14)32(28,29)25-15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H2,21,23)(H2,22,24).
What are the key properties of 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide?
2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide has a molecular weight of 487.57 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide is sourced from PubChem (CID 71136714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).