N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide

C19H17NO4S2 — CID 10110771

IUPACN-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccsc1)O2
InChIInChI=1S/C19H17NO4S2/c1-23-16-4-3-5-17-18(16)14-7-6-13(20-26(2,21)22)10-15(14)19(24-17)12-8-9-25-11-12/h3-11,19-20H,1-2H3
InChIKeyIVLBXYAEHGMERI-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.28
Rot. Bonds4

About N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide

N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 10110771) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID10110771
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC NameN-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccsc1)O2
InChIInChI=1S/C19H17NO4S2/c1-23-16-4-3-5-17-18(16)14-7-6-13(20-26(2,21)22)10-15(14)19(24-17)12-8-9-25-11-12/h3-11,19-20H,1-2H3
InChIKeyIVLBXYAEHGMERI-UHFFFAOYSA-N
XLogP4.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 10110771) is N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccsc1)O2.
What is the InChIKey of N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is IVLBXYAEHGMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-23-16-4-3-5-17-18(16)14-7-6-13(20-26(2,21)22)10-15(14)19(24-17)12-8-9-25-11-12/h3-11,19-20H,1-2H3.
What are the key properties of N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 387.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 10110771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).