N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C16H19NO3S — CID 39855189

IUPACN-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C16H19NO3S/c1-12-6-8-15(20-12)11-17-21(18,19)16-9-7-13-4-2-3-5-14(13)10-16/h6-10,17H,2-5,11H2,1H3
InChIKeyMTJSOVRHMHOUAS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.95
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 39855189) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID39855189
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C16H19NO3S/c1-12-6-8-15(20-12)11-17-21(18,19)16-9-7-13-4-2-3-5-14(13)10-16/h6-10,17H,2-5,11H2,1H3
InChIKeyMTJSOVRHMHOUAS-UHFFFAOYSA-N
XLogP2.95
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
2-(2-hydroxy-3-methylbutanoyl)-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70740180
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-[(5-methylfuran-2-yl)methyl]-2-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70727934
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110319606
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 53025638
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110642085
N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70781556

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 39855189) is N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is MTJSOVRHMHOUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-6-8-15(20-12)11-17-21(18,19)16-9-7-13-4-2-3-5-14(13)10-16/h6-10,17H,2-5,11H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 39855189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).