N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide

C13H21NO4S — CID 54916342

IUPACN-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(CCCO)C(C)C
InChIInChI=1S/C13H21NO4S/c1-11(2)14(9-6-10-15)19(16,17)13-8-5-4-7-12(13)18-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3
InChIKeyYDIQAWWGJMSULD-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.48
Rot. Bonds7

About N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide

N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 54916342) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID54916342
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(CCCO)C(C)C
InChIInChI=1S/C13H21NO4S/c1-11(2)14(9-6-10-15)19(16,17)13-8-5-4-7-12(13)18-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3
InChIKeyYDIQAWWGJMSULD-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
3-chloro-2-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916249
3-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596982
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
3-fluoro-N-(3-hydroxypropyl)-2-nitro-N-propan-2-ylbenzenesulfonamide
CID 115992192
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
5-bromo-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 61042574
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide (CID 54916342) is N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide is COc1ccccc1S(=O)(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is YDIQAWWGJMSULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-11(2)14(9-6-10-15)19(16,17)13-8-5-4-7-12(13)18-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide?
N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 54916342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).