methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate

C16H17NO4S2 — CID 3780569

IUPACmethyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H17NO4S2/c1-21-16(18)15-14(9-10-22-15)23(19,20)17-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10,17H,2-3,5,7H2,1H3
InChIKeyBIMUHSYNVMUBAH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.21
Rot. Bonds4

About methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate

methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 3780569) has the molecular formula C16H17NO4S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID3780569
Molecular FormulaC16H17NO4S2
Molecular Weight351.45 g/mol
Exact Mass351.06
IUPAC Namemethyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H17NO4S2/c1-21-16(18)15-14(9-10-22-15)23(19,20)17-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10,17H,2-3,5,7H2,1H3
InChIKeyBIMUHSYNVMUBAH-UHFFFAOYSA-N
XLogP3.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412
methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24602965
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 17465245
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 43547547
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate (CID 3780569) is methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is BIMUHSYNVMUBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S2/c1-21-16(18)15-14(9-10-22-15)23(19,20)17-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10,17H,2-3,5,7H2,1H3.
What are the key properties of methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 3780569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).