N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide

C13H21NO3S — CID 80686188

IUPACN-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
SMILESCC(O)CCNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-11(13-6-4-3-5-7-13)10-18(16,17)14-9-8-12(2)15/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyBTTJJDBNQVZGRB-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.48
Rot. Bonds7

About N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide

N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686188) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
PubChem CID80686188
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
SMILESCC(O)CCNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-11(13-6-4-3-5-7-13)10-18(16,17)14-9-8-12(2)15/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyBTTJJDBNQVZGRB-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
CID 107848755
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
CID 104600558
2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid
CID 67637593
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
4-(2-phenylpropylsulfonylamino)butanimidamide
CID 80687571
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
CID 113496582

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide (CID 80686188) is N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide is CC(O)CCNS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is BTTJJDBNQVZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11(13-6-4-3-5-7-13)10-18(16,17)14-9-8-12(2)15/h3-7,11-12,14-15H,8-10H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide?
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 271.38 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-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).