N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide

C14H21NO3S — CID 80685968

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCC(O)C1CC1)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-11(12-5-3-2-4-6-12)10-19(17,18)15-9-14(16)13-7-8-13/h2-6,11,13-16H,7-10H2,1H3
InChIKeyPTBDWNBWTVAAMQ-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.48
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide (PubChem CID 80685968) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
PubChem CID80685968
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCC(O)C1CC1)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-11(12-5-3-2-4-6-12)10-19(17,18)15-9-14(16)13-7-8-13/h2-6,11,13-16H,7-10H2,1H3
InChIKeyPTBDWNBWTVAAMQ-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158308
N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
CID 113496582
2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 80686709
1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450131
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide
CID 80685896
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide (CID 80685968) is N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NCC(O)C1CC1)c1ccccc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is PTBDWNBWTVAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(12-5-3-2-4-6-12)10-19(17,18)15-9-14(16)13-7-8-13/h2-6,11,13-16H,7-10H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80685968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).