N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide

C15H19NO3S — CID 47371751

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)C(C)C)ccc2c1
InChIInChI=1S/C15H19NO3S/c1-11(2)20(17,18)16-10-12-4-5-14-9-15(19-3)7-6-13(14)8-12/h4-9,11,16H,10H2,1-3H3
InChIKeyDNTNAVWDMHPDDW-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.68
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide

N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide (PubChem CID 47371751) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
PubChem CID47371751
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)C(C)C)ccc2c1
InChIInChI=1S/C15H19NO3S/c1-11(2)20(17,18)16-10-12-4-5-14-9-15(19-3)7-6-13(14)8-12/h4-9,11,16H,10H2,1-3H3
InChIKeyDNTNAVWDMHPDDW-UHFFFAOYSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
CID 47371248
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 46696275
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 32681146
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944857

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide (CID 47371751) is N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide is COc1ccc2cc(CNS(=O)(=O)C(C)C)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide?
The InChIKey is DNTNAVWDMHPDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(2)20(17,18)16-10-12-4-5-14-9-15(19-3)7-6-13(14)8-12/h4-9,11,16H,10H2,1-3H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide?
N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 47371751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).