4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide

C15H25NO3S — CID 19681894

IUPAC4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CCCC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)6-5-7-13(3)16-20(17,18)15-10-8-14(19-4)9-11-15/h8-13,16H,5-7H2,1-4H3
InChIKeyARSGRCOYAOKZRK-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.19
Rot. Bonds8

About 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide

4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 19681894) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID19681894
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CCCC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)6-5-7-13(3)16-20(17,18)15-10-8-14(19-4)9-11-15/h8-13,16H,5-7H2,1-4H3
InChIKeyARSGRCOYAOKZRK-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154344
diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987247
diethyl-[(4S)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987249
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681907
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 19681894) is 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)CCCC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is ARSGRCOYAOKZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-12(2)6-5-7-13(3)16-20(17,18)15-10-8-14(19-4)9-11-15/h8-13,16H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 19681894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).