N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C12H15N3O5S — CID 110398472

IUPACN-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCC3OCCO3)cc2[nH]1
InChIInChI=1S/C12H15N3O5S/c16-12-14-9-2-1-8(7-10(9)15-12)21(17,18)13-4-3-11-19-5-6-20-11/h1-2,7,11,13H,3-6H2,(H2,14,15,16)
InChIKeyLDLPLJZSGRDVLZ-UHFFFAOYSA-N
MW313.33 g/mol
LogP-0.10
Rot. Bonds5

About N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110398472) has the molecular formula C12H15N3O5S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110398472
Molecular FormulaC12H15N3O5S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC NameN-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCC3OCCO3)cc2[nH]1
InChIInChI=1S/C12H15N3O5S/c16-12-14-9-2-1-8(7-10(9)15-12)21(17,18)13-4-3-11-19-5-6-20-11/h1-2,7,11,13H,3-6H2,(H2,14,15,16)
InChIKeyLDLPLJZSGRDVLZ-UHFFFAOYSA-N
XLogP-0.10
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
CID 7263204
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 110369999
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butyl]acetamide
CID 110417592
N-[2-(1,3-dioxan-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370149
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110398488
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110716726
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 114383991

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110398472) is N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCC3OCCO3)cc2[nH]1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is LDLPLJZSGRDVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c16-12-14-9-2-1-8(7-10(9)15-12)21(17,18)13-4-3-11-19-5-6-20-11/h1-2,7,11,13H,3-6H2,(H2,14,15,16).
What are the key properties of N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 313.33 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110398472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).