N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine

C24H35N3O2S — CID 159733442

IUPACN-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine
SMILESCC.CCN(CC)c1ccc(NS(=O)(=O)c2cccc3c(C)cccc23)cc1.CN
InChIInChI=1S/C21H24N2O2S.C2H6.CH5N/c1-4-23(5-2)18-14-12-17(13-15-18)22-26(24,25)21-11-7-9-19-16(3)8-6-10-20(19)21;2*1-2/h6-15,22H,4-5H2,1-3H3;1-2H3;2H2,1H3
InChIKeyNBNJSLIRABMSIX-UHFFFAOYSA-N
MW429.63 g/mol
LogP5.40
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine

N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine (PubChem CID 159733442) has the molecular formula C24H35N3O2S and a molecular weight of 429.63 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine
PubChem CID159733442
Molecular FormulaC24H35N3O2S
Molecular Weight429.63 g/mol
Exact Mass429.24
IUPAC NameN-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine
SMILESCC.CCN(CC)c1ccc(NS(=O)(=O)c2cccc3c(C)cccc23)cc1.CN
InChIInChI=1S/C21H24N2O2S.C2H6.CH5N/c1-4-23(5-2)18-14-12-17(13-15-18)22-26(24,25)21-11-7-9-19-16(3)8-6-10-20(19)21;2*1-2/h6-15,22H,4-5H2,1-3H3;1-2H3;2H2,1H3
InChIKeyNBNJSLIRABMSIX-UHFFFAOYSA-N
XLogP5.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.63
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600
3-[[4-(diethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 8822368
3-[[4-(diethylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoate
CID 9234909
N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 9234931
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3935169
N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7635718
5-chloro-N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507128

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine (CID 159733442) is N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine is CC.CCN(CC)c1ccc(NS(=O)(=O)c2cccc3c(C)cccc23)cc1.CN.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine?
The InChIKey is NBNJSLIRABMSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S.C2H6.CH5N/c1-4-23(5-2)18-14-12-17(13-15-18)22-26(24,25)21-11-7-9-19-16(3)8-6-10-20(19)21;2*1-2/h6-15,22H,4-5H2,1-3H3;1-2H3;2H2,1H3.
What are the key properties of N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine?
N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine has a molecular weight of 429.63 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine is sourced from PubChem (CID 159733442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).