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

C17H23NO2S — CID 114795824

IUPACN-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H23NO2S/c1-13(2)12-14(3)18(4)21(19,20)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,13-14H,12H2,1-4H3
InChIKeyIDMMRFSHHBVUKI-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.89
Rot. Bonds5

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

N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide (PubChem CID 114795824) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
PubChem CID114795824
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H23NO2S/c1-13(2)12-14(3)18(4)21(19,20)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,13-14H,12H2,1-4H3
InChIKeyIDMMRFSHHBVUKI-UHFFFAOYSA-N
XLogP3.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide (CID 114795824) is N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide is CC(C)CC(C)N(C)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is IDMMRFSHHBVUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-13(2)12-14(3)18(4)21(19,20)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,13-14H,12H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide?
N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).