4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide

C13H21NO3S — CID 3027298

IUPAC4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H21NO3S/c1-3-9-14(10-4-2)18(16,17)13-7-5-12(11-15)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyLZJBCZPLTVAHAC-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.99
Rot. Bonds7

About 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide

4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 3027298) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
PubChem CID3027298
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H21NO3S/c1-3-9-14(10-4-2)18(16,17)13-7-5-12(11-15)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyLZJBCZPLTVAHAC-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide (CID 3027298) is 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is LZJBCZPLTVAHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-9-14(10-4-2)18(16,17)13-7-5-12(11-15)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide?
4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 3027298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).