4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide

C17H20N2O4S — CID 171385824

IUPAC4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccoc1
InChIInChI=1S/C17H20N2O4S/c1-12-10-14(5-6-15(12)13-7-9-23-11-13)24(21,22)19-16-4-2-3-8-18-17(16)20/h5-7,9-11,16,19H,2-4,8H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyBODVCUJNUZTGLD-MRXNPFEDSA-N
MW348.42 g/mol
LogP2.20
Rot. Bonds4

About 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide

4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide (PubChem CID 171385824) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
PubChem CID171385824
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccoc1
InChIInChI=1S/C17H20N2O4S/c1-12-10-14(5-6-15(12)13-7-9-23-11-13)24(21,22)19-16-4-2-3-8-18-17(16)20/h5-7,9-11,16,19H,2-4,8H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyBODVCUJNUZTGLD-MRXNPFEDSA-N
XLogP2.20
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide?
The IUPAC name of 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide (CID 171385824) is 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide?
The InChIKey is BODVCUJNUZTGLD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-10-14(5-6-15(12)13-7-9-23-11-13)24(21,22)19-16-4-2-3-8-18-17(16)20/h5-7,9-11,16,19H,2-4,8H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide?
4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide is sourced from PubChem (CID 171385824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).