3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

C17H17Cl2NO3S — CID 143337884

IUPAC3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c2c1CCCC2
InChIInChI=1S/C17H17Cl2NO3S/c1-23-17-7-6-16(14-4-2-3-5-15(14)17)20-24(21,22)13-9-11(18)8-12(19)10-13/h6-10,20H,2-5H2,1H3
InChIKeyMQOFAOSDTLWDMA-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.68
Rot. Bonds4

About 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 143337884) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID143337884
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC Name3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c2c1CCCC2
InChIInChI=1S/C17H17Cl2NO3S/c1-23-17-7-6-16(14-4-2-3-5-15(14)17)20-24(21,22)13-9-11(18)8-12(19)10-13/h6-10,20H,2-5H2,1H3
InChIKeyMQOFAOSDTLWDMA-UHFFFAOYSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 143337884) is 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c2c1CCCC2.
What is the InChIKey of 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is MQOFAOSDTLWDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-23-17-7-6-16(14-4-2-3-5-15(14)17)20-24(21,22)13-9-11(18)8-12(19)10-13/h6-10,20H,2-5H2,1H3.
What are the key properties of 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 386.30 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 143337884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).