N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide

C19H23NO5S — CID 99784775

IUPACN-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
SMILESCC1(c2ccc(S(=O)(=O)NCC[C@@H](O)c3ccccc3)cc2)OCCO1
InChIInChI=1S/C19H23NO5S/c1-19(24-13-14-25-19)16-7-9-17(10-8-16)26(22,23)20-12-11-18(21)15-5-3-2-4-6-15/h2-10,18,20-21H,11-14H2,1H3/t18-/m1/s1
InChIKeyMCHAMTSSTZUUOY-GOSISDBHSA-N
MW377.46 g/mol
LogP2.31
Rot. Bonds7

About N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide

N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide (PubChem CID 99784775) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
PubChem CID99784775
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
SMILESCC1(c2ccc(S(=O)(=O)NCC[C@@H](O)c3ccccc3)cc2)OCCO1
InChIInChI=1S/C19H23NO5S/c1-19(24-13-14-25-19)16-7-9-17(10-8-16)26(22,23)20-12-11-18(21)15-5-3-2-4-6-15/h2-10,18,20-21H,11-14H2,1H3/t18-/m1/s1
InChIKeyMCHAMTSSTZUUOY-GOSISDBHSA-N
XLogP2.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110665841
(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 99850353
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide (CID 99784775) is N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide is CC1(c2ccc(S(=O)(=O)NCC[C@@H](O)c3ccccc3)cc2)OCCO1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The InChIKey is MCHAMTSSTZUUOY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-19(24-13-14-25-19)16-7-9-17(10-8-16)26(22,23)20-12-11-18(21)15-5-3-2-4-6-15/h2-10,18,20-21H,11-14H2,1H3/t18-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide has a molecular weight of 377.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide is sourced from PubChem (CID 99784775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).