4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide

C15H17NO3S — CID 39397991

IUPAC4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(CCCO)cc1
InChIInChI=1S/C15H17NO3S/c17-12-4-5-13-8-10-15(11-9-13)20(18,19)16-14-6-2-1-3-7-14/h1-3,6-11,16-17H,4-5,12H2
InChIKeyIXZWQNQZHLXHNP-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.41
Rot. Bonds6

About 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide

4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide (PubChem CID 39397991) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
PubChem CID39397991
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(CCCO)cc1
InChIInChI=1S/C15H17NO3S/c17-12-4-5-13-8-10-15(11-9-13)20(18,19)16-14-6-2-1-3-7-14/h1-3,6-11,16-17H,4-5,12H2
InChIKeyIXZWQNQZHLXHNP-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095
N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39436087
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39371133
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid
CID 66675508
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide (CID 39397991) is 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(CCCO)cc1.
What is the InChIKey of 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide?
The InChIKey is IXZWQNQZHLXHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-12-4-5-13-8-10-15(11-9-13)20(18,19)16-14-6-2-1-3-7-14/h1-3,6-11,16-17H,4-5,12H2.
What are the key properties of 4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide?
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.41, 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-phenylbenzenesulfonamide is sourced from PubChem (CID 39397991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).