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

C16H19NO3S — CID 39436095

IUPAC4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(CCCO)cc2)c1
InChIInChI=1S/C16H19NO3S/c1-13-4-2-6-15(12-13)17-21(19,20)16-9-7-14(8-10-16)5-3-11-18/h2,4,6-10,12,17-18H,3,5,11H2,1H3
InChIKeyFECYIWPWOYEUSS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.72
Rot. Bonds6

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

4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 39436095) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
PubChem CID39436095
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(CCCO)cc2)c1
InChIInChI=1S/C16H19NO3S/c1-13-4-2-6-15(12-13)17-21(19,20)16-9-7-14(8-10-16)5-3-11-18/h2,4,6-10,12,17-18H,3,5,11H2,1H3
InChIKeyFECYIWPWOYEUSS-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 59571909
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide (CID 39436095) is 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(CCCO)cc2)c1.
What is the InChIKey of 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is FECYIWPWOYEUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-4-2-6-15(12-13)17-21(19,20)16-9-7-14(8-10-16)5-3-11-18/h2,4,6-10,12,17-18H,3,5,11H2,1H3.
What are the key properties of 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide?
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 39436095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).