N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide

C14H17NO2S — CID 21131549

IUPACN-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-11(2)15(3)18(16,17)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3
InChIKeyFXDBJEVPEHBPSX-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide

N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide (PubChem CID 21131549) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
PubChem CID21131549
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-11(2)15(3)18(16,17)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3
InChIKeyFXDBJEVPEHBPSX-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795824
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
2-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 114533581
N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide
CID 114795644
N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
CID 114795586
N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide
CID 134821387
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 115684041
1-methylsulfonylnaphthalene
CID 11206535
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
N,N-dimethyl-2-[methyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 115684021

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide (CID 21131549) is N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide is CC(C)N(C)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide?
The InChIKey is FXDBJEVPEHBPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-11(2)15(3)18(16,17)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3.
What are the key properties of N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide?
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 21131549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).