3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide

C14H23NO3S — CID 60874171

IUPAC3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cccc(C(O)CC)c1
InChIInChI=1S/C14H23NO3S/c1-4-12(5-2)15-19(17,18)13-9-7-8-11(10-13)14(16)6-3/h7-10,12,14-16H,4-6H2,1-3H3
InChIKeyOLXXORJATQKRRG-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.60
Rot. Bonds7

About 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide

3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 60874171) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID60874171
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cccc(C(O)CC)c1
InChIInChI=1S/C14H23NO3S/c1-4-12(5-2)15-19(17,18)13-9-7-8-11(10-13)14(16)6-3/h7-10,12,14-16H,4-6H2,1-3H3
InChIKeyOLXXORJATQKRRG-UHFFFAOYSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360006
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride
CID 43108680
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104764772
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662505
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 60874543
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 107642763
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 61466425

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide (CID 60874171) is 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1cccc(C(O)CC)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is OLXXORJATQKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-12(5-2)15-19(17,18)13-9-7-8-11(10-13)14(16)6-3/h7-10,12,14-16H,4-6H2,1-3H3.
What are the key properties of 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide?
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 60874171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).