2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide

C15H19Cl2N3O3S — CID 171443089

IUPAC2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C
InChIInChI=1S/C15H19Cl2N3O3S/c1-8(2)20(9(3)4)14(21)7-24(22,23)15-18-12-5-10(16)11(17)6-13(12)19-15/h5-6,8-9H,7H2,1-4H3,(H,18,19)
InChIKeyIBQMTADNPYYHJC-UHFFFAOYSA-N
MW392.31 g/mol
LogP3.29
Rot. Bonds5

About 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide

2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 171443089) has the molecular formula C15H19Cl2N3O3S and a molecular weight of 392.31 g/mol. Its IUPAC name is 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide
PubChem CID171443089
Molecular FormulaC15H19Cl2N3O3S
Molecular Weight392.31 g/mol
Exact Mass391.05
IUPAC Name2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C
InChIInChI=1S/C15H19Cl2N3O3S/c1-8(2)20(9(3)4)14(21)7-24(22,23)15-18-12-5-10(16)11(17)6-13(12)19-15/h5-6,8-9H,7H2,1-4H3,(H,18,19)
InChIKeyIBQMTADNPYYHJC-UHFFFAOYSA-N
XLogP3.29
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide (CID 171443089) is 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C.
What is the InChIKey of 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is IBQMTADNPYYHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3S/c1-8(2)20(9(3)4)14(21)7-24(22,23)15-18-12-5-10(16)11(17)6-13(12)19-15/h5-6,8-9H,7H2,1-4H3,(H,18,19).
What are the key properties of 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide?
2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 392.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 171443089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).