N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide

C18H23NO4S — CID 113228610

IUPACN-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO4S/c1-2-18(21)16-9-6-10-17(13-16)24(22,23)19(11-12-20)14-15-7-4-3-5-8-15/h3-10,13,18,20-21H,2,11-12,14H2,1H3
InChIKeyRAPQEMWSBAVENS-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.31
Rot. Bonds8

About N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide

N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide (PubChem CID 113228610) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
PubChem CID113228610
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO4S/c1-2-18(21)16-9-6-10-17(13-16)24(22,23)19(11-12-20)14-15-7-4-3-5-8-15/h3-10,13,18,20-21H,2,11-12,14H2,1H3
InChIKeyRAPQEMWSBAVENS-UHFFFAOYSA-N
XLogP2.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide
CID 113232614
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
2-[[3-(1-hydroxypropyl)phenyl]sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60873816
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-ethylbenzenesulfonamide
CID 668950

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide (CID 113228610) is N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide?
The InChIKey is RAPQEMWSBAVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-2-18(21)16-9-6-10-17(13-16)24(22,23)19(11-12-20)14-15-7-4-3-5-8-15/h3-10,13,18,20-21H,2,11-12,14H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide?
N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 113228610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).