N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide

C28H38N2O3S — CID 3346983

IUPACN-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCCCCN(CCCC)CC(O)CN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H38N2O3S/c1-4-6-19-29(20-7-5-2)21-25(31)22-30(34(32,33)26-17-15-23(3)16-18-26)28-14-10-12-24-11-8-9-13-27(24)28/h8-18,25,31H,4-7,19-22H2,1-3H3
InChIKeyJGNUPFHQUQZLQB-UHFFFAOYSA-N
MW482.69 g/mol
LogP5.61
Rot. Bonds13

About N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide

N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 3346983) has the molecular formula C28H38N2O3S and a molecular weight of 482.69 g/mol. Its IUPAC name is N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID3346983
Molecular FormulaC28H38N2O3S
Molecular Weight482.69 g/mol
Exact Mass482.26
IUPAC NameN-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCCCCN(CCCC)CC(O)CN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H38N2O3S/c1-4-6-19-29(20-7-5-2)21-25(31)22-30(34(32,33)26-17-15-23(3)16-18-26)28-14-10-12-24-11-8-9-13-27(24)28/h8-18,25,31H,4-7,19-22H2,1-3H3
InChIKeyJGNUPFHQUQZLQB-UHFFFAOYSA-N
XLogP5.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3410388
N-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 6971071
N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3715769
N-[(2R)-3-(dibutylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-4-nitrobenzenesulfonamide
CID 41066872
4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3781251
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 2884140
N-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide;hydrochloride
CID 44667844
N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
CID 2392249
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2884976
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2136151
N-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-4-nitro-N-phenylbenzenesulfonamide
CID 2287761
N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 16801172

Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide (CID 3346983) is N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide is CCCCN(CCCC)CC(O)CN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is JGNUPFHQUQZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3S/c1-4-6-19-29(20-7-5-2)21-25(31)22-30(34(32,33)26-17-15-23(3)16-18-26)28-14-10-12-24-11-8-9-13-27(24)28/h8-18,25,31H,4-7,19-22H2,1-3H3.
What are the key properties of N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 482.69 g/mol, XLogP of 5.61, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 3346983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).