N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide

C16H19NO3S — CID 69444505

IUPACN-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
SMILESCN(C(CCO)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-17(21(19,20)15-10-6-3-7-11-15)16(12-13-18)14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3
InChIKeyCRNGIVQQTNROOI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.43
Rot. Bonds6

About N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide

N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide (PubChem CID 69444505) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
PubChem CID69444505
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
SMILESCN(C(CCO)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-17(21(19,20)15-10-6-3-7-11-15)16(12-13-18)14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3
InChIKeyCRNGIVQQTNROOI-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 124638191
N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide
CID 177370389
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N-methylbenzenesulfonamide
CID 10683545
N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide
CID 10324369
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-hydroxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92647875
N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide
CID 63225180
(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 92647846
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide (CID 69444505) is N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide is CN(C(CCO)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide?
The InChIKey is CRNGIVQQTNROOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-17(21(19,20)15-10-6-3-7-11-15)16(12-13-18)14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3.
What are the key properties of N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide?
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 69444505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).