4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide

C15H22N4O3S — CID 33324562

IUPAC4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C15H22N4O3S/c1-3-18(4-2)23(20,21)19-11-9-17(10-12-19)15-16-13-7-5-6-8-14(13)22-15/h5-8H,3-4,9-12H2,1-2H3
InChIKeyODJALBAOFAVUHW-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.54
Rot. Bonds5

About 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide

4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 33324562) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide
PubChem CID33324562
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C15H22N4O3S/c1-3-18(4-2)23(20,21)19-11-9-17(10-12-19)15-16-13-7-5-6-8-14(13)22-15/h5-8H,3-4,9-12H2,1-2H3
InChIKeyODJALBAOFAVUHW-UHFFFAOYSA-N
XLogP1.54
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide (CID 33324562) is 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is ODJALBAOFAVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-3-18(4-2)23(20,21)19-11-9-17(10-12-19)15-16-13-7-5-6-8-14(13)22-15/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide?
4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 33324562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).