N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide

C16H19NO3S — CID 39436087

IUPACN-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(CCCO)cc1
InChIInChI=1S/C16H19NO3S/c18-12-4-7-14-8-10-16(11-9-14)21(19,20)17-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17-18H,4,7,12-13H2
InChIKeyXHIVRCTWVXBJAH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.09
Rot. Bonds7

About N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide

N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 39436087) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
PubChem CID39436087
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(CCCO)cc1
InChIInChI=1S/C16H19NO3S/c18-12-4-7-14-8-10-16(11-9-14)21(19,20)17-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17-18H,4,7,12-13H2
InChIKeyXHIVRCTWVXBJAH-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-[[(4-hexylphenyl)sulfonylamino]methyl]benzoic acid
CID 84556982
4-(benzylsulfamoyl)benzoate
CID 4743721
N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39371133
2-[4-(benzylsulfamoyl)phenyl]ethanethioamide
CID 79185403
N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
CID 39387794
3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 126257588
4-(benzylsulfamoyl)benzenecarbothioamide
CID 3643967
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
methanesulfonic acid;4-phenylbutan-1-ol
CID 71375764

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide (CID 39436087) is N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(CCCO)cc1.
What is the InChIKey of N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is XHIVRCTWVXBJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-12-4-7-14-8-10-16(11-9-14)21(19,20)17-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17-18H,4,7,12-13H2.
What are the key properties of N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide?
N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 39436087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).