N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide

C17H20N2O4S — CID 671037

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1
InChIInChI=1S/C17H20N2O4S/c20-17(16-6-5-13-23-16)18-14-7-9-15(10-8-14)24(21,22)19-11-3-1-2-4-12-19/h5-10,13H,1-4,11-12H2,(H,18,20)
InChIKeyLZFOFBFQAVQLBZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.10
Rot. Bonds4

About N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide

N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide (PubChem CID 671037) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide
PubChem CID671037
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1
InChIInChI=1S/C17H20N2O4S/c20-17(16-6-5-13-23-16)18-14-7-9-15(10-8-14)24(21,22)19-11-3-1-2-4-12-19/h5-10,13H,1-4,11-12H2,(H,18,20)
InChIKeyLZFOFBFQAVQLBZ-UHFFFAOYSA-N
XLogP3.10
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide (CID 671037) is N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide?
The InChIKey is LZFOFBFQAVQLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-17(16-6-5-13-23-16)18-14-7-9-15(10-8-14)24(21,22)19-11-3-1-2-4-12-19/h5-10,13H,1-4,11-12H2,(H,18,20).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 671037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).