N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide

C23H31N3O4S2 — CID 24580765

IUPACN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C23H31N3O4S2/c1-4-15-24-22-14-13-21(32(29,30)26(5-2)6-3)17-23(22)25-31(27,28)20-12-11-18-9-7-8-10-19(18)16-20/h7-10,13-14,16-17,24-25H,4-6,11-12,15H2,1-3H3
InChIKeyHENYYGQLHBZAKX-UHFFFAOYSA-N
MW477.65 g/mol
LogP4.27
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 24580765) has the molecular formula C23H31N3O4S2 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID24580765
Molecular FormulaC23H31N3O4S2
Molecular Weight477.65 g/mol
Exact Mass477.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C23H31N3O4S2/c1-4-15-24-22-14-13-21(32(29,30)26(5-2)6-3)17-23(22)25-31(27,28)20-12-11-18-9-7-8-10-19(18)16-20/h7-10,13-14,16-17,24-25H,4-6,11-12,15H2,1-3H3
InChIKeyHENYYGQLHBZAKX-UHFFFAOYSA-N
XLogP4.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide
CID 24580768
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 24580769
N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide
CID 55361587
N,N-diethyl-3-[(2-nitrophenyl)methylamino]-4-(propylamino)benzenesulfonamide
CID 78825367
N,N-diethyl-4-(propylamino)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylamino)benzenesulfonamide
CID 86901841
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide
CID 18125779
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide
CID 39912428
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate
CID 52599748
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 5181058
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 24580765) is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide is CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is HENYYGQLHBZAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S2/c1-4-15-24-22-14-13-21(32(29,30)26(5-2)6-3)17-23(22)25-31(27,28)20-12-11-18-9-7-8-10-19(18)16-20/h7-10,13-14,16-17,24-25H,4-6,11-12,15H2,1-3H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 477.65 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 24580765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).