N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide

C23H28N2O3S — CID 2915137

IUPACN-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
SMILESCCN(CC)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H28N2O3S/c1-3-24(4-2)17-22(26)18-25(21-12-6-5-7-13-21)29(27,28)23-15-14-19-10-8-9-11-20(19)16-23/h5-16,22,26H,3-4,17-18H2,1-2H3
InChIKeyRXLALFUZCDDYRY-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.74
Rot. Bonds9

About N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide

N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide (PubChem CID 2915137) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
PubChem CID2915137
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
SMILESCCN(CC)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H28N2O3S/c1-3-24(4-2)17-22(26)18-25(21-12-6-5-7-13-21)29(27,28)23-15-14-19-10-8-9-11-20(19)16-23/h5-16,22,26H,3-4,17-18H2,1-2H3
InChIKeyRXLALFUZCDDYRY-UHFFFAOYSA-N
XLogP3.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide
CID 3293139
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
N-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-4-nitro-N-phenylbenzenesulfonamide
CID 2287761
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3410388
N-[3-(dibenzylamino)-2-hydroxypropyl]-4-nitro-N-phenylbenzenesulfonamide
CID 2884454
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2884976
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
3-cyano-N-[(2S)-2-hydroxybutyl]-N-phenylbenzenesulfonamide
CID 95155706
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 2884140
2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100535124
N-[3-(dimethylamino)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide
CID 3133112
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide?
The IUPAC name of N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide (CID 2915137) is N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide is CCN(CC)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide?
The InChIKey is RXLALFUZCDDYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-3-24(4-2)17-22(26)18-25(21-12-6-5-7-13-21)29(27,28)23-15-14-19-10-8-9-11-20(19)16-23/h5-16,22,26H,3-4,17-18H2,1-2H3.
What are the key properties of N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide?
N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide has a molecular weight of 412.56 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide is sourced from PubChem (CID 2915137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).