4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide

C16H21NO2S — CID 118188377

IUPAC4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C16H21NO2S/c1-5-16(3,4)17-20(18,19)15-11-10-12(2)13-8-6-7-9-14(13)15/h6-11,17H,5H2,1-4H3
InChIKeyTZNJKXSCTAIGKC-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.62
Rot. Bonds4

About 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide

4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide (PubChem CID 118188377) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide
PubChem CID118188377
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C16H21NO2S/c1-5-16(3,4)17-20(18,19)15-11-10-12(2)13-8-6-7-9-14(13)15/h6-11,17H,5H2,1-4H3
InChIKeyTZNJKXSCTAIGKC-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-methyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 166267226
N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide
CID 68528787
N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 154457668
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 115684135
4-propoxy-N-(2,4,4-trimethylpentan-2-yl)naphthalene-1-sulfonamide
CID 146145742
N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
CID 103740938
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
(2R)-2-(methylamino)-N-(4-methylnaphthalen-1-yl)sulfonylpropanamide
CID 166291932
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide (CID 118188377) is 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(C)c2ccccc12.
What is the InChIKey of 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is TZNJKXSCTAIGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-5-16(3,4)17-20(18,19)15-11-10-12(2)13-8-6-7-9-14(13)15/h6-11,17H,5H2,1-4H3.
What are the key properties of 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide?
4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 118188377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).