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

C23H29ClN2O3S — CID 24747855

IUPACN-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride
SMILESCCN(CC)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C23H28N2O3S.ClH/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;1H
InChIKeyGPGTZFLWUSWRBX-UHFFFAOYSA-N
MW449.02 g/mol
LogP4.16
Rot. Bonds9

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

N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride (PubChem CID 24747855) has the molecular formula C23H29ClN2O3S and a molecular weight of 449.02 g/mol. Its IUPAC name is N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride
PubChem CID24747855
Molecular FormulaC23H29ClN2O3S
Molecular Weight449.02 g/mol
Exact Mass448.16
IUPAC NameN-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride
SMILESCCN(CC)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C23H28N2O3S.ClH/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;1H
InChIKeyGPGTZFLWUSWRBX-UHFFFAOYSA-N
XLogP4.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride (CID 24747855) is N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride is CCN(CC)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride?
The InChIKey is GPGTZFLWUSWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S.ClH/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;1H.
What are the key properties of N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride?
N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide;hydrochloride has a molecular weight of 449.02 g/mol, XLogP of 4.16, 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;hydrochloride is sourced from PubChem (CID 24747855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).