3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

C17H19NO2S — CID 5104116

IUPAC3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-4-9-15(12-13)21(19,20)18-17-11-5-8-14-7-2-3-10-16(14)17/h4-6,8-9,11-12,18H,2-3,7,10H2,1H3
InChIKeyAYVVPFAQZFYECH-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.67
Rot. Bonds3

About 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 5104116) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID5104116
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-4-9-15(12-13)21(19,20)18-17-11-5-8-14-7-2-3-10-16(14)17/h4-6,8-9,11-12,18H,2-3,7,10H2,1H3
InChIKeyAYVVPFAQZFYECH-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 43808517
3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591
3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3832524
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 107802273
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
CID 35507830
4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917438
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 5104116) is 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc3c2CCCC3)c1.
What is the InChIKey of 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is AYVVPFAQZFYECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-6-4-9-15(12-13)21(19,20)18-17-11-5-8-14-7-2-3-10-16(14)17/h4-6,8-9,11-12,18H,2-3,7,10H2,1H3.
What are the key properties of 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 5104116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).