N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide

C20H25NO4S — CID 10110007

IUPACN-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCCCCCC1Oc2cccc(OC)c2-c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C20H25NO4S/c1-4-5-6-8-17-16-13-14(21-26(3,22)23)11-12-15(16)20-18(24-2)9-7-10-19(20)25-17/h7,9-13,17,21H,4-6,8H2,1-3H3
InChIKeyJERBFTSQEGKSTK-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.75
Rot. Bonds7

About N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide

N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 10110007) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID10110007
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCCCCCC1Oc2cccc(OC)c2-c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C20H25NO4S/c1-4-5-6-8-17-16-13-14(21-26(3,22)23)11-12-15(16)20-18(24-2)9-7-10-19(20)25-17/h7,9-13,17,21H,4-6,8H2,1-3H3
InChIKeyJERBFTSQEGKSTK-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 10110007) is N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is CCCCCC1Oc2cccc(OC)c2-c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is JERBFTSQEGKSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-4-5-6-8-17-16-13-14(21-26(3,22)23)11-12-15(16)20-18(24-2)9-7-10-19(20)25-17/h7,9-13,17,21H,4-6,8H2,1-3H3.
What are the key properties of N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 10110007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).