N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H13N3O4S — CID 110724383

IUPACN-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccc2nc[nH]c2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H13N3O4S/c19-23(20,11-2-4-14-15(8-11)22-6-5-21-14)18-10-1-3-12-13(7-10)17-9-16-12/h1-4,7-9,18H,5-6H2,(H,16,17)
InChIKeyPFXSFQLMBPQTIM-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.13
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110724383) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110724383
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccc2nc[nH]c2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H13N3O4S/c19-23(20,11-2-4-14-15(8-11)22-6-5-21-14)18-10-1-3-12-13(7-10)17-9-16-12/h1-4,7-9,18H,5-6H2,(H,16,17)
InChIKeyPFXSFQLMBPQTIM-UHFFFAOYSA-N
XLogP2.13
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4990247
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60791769
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(3H-benzimidazol-5-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110724406
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112980041
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760043
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 110760029

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110724383) is N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1ccc2nc[nH]c2c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is PFXSFQLMBPQTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c19-23(20,11-2-4-14-15(8-11)22-6-5-21-14)18-10-1-3-12-13(7-10)17-9-16-12/h1-4,7-9,18H,5-6H2,(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 331.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110724383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).