N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide

C14H21NO4S — CID 102867487

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C14H21NO4S/c1-19-13-7-3-8-14(11-13)20(17,18)15(9-4-10-16)12-5-2-6-12/h3,7-8,11-12,16H,2,4-6,9-10H2,1H3
InChIKeyDJLYEGPROHROND-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.62
Rot. Bonds7

About N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide

N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide (PubChem CID 102867487) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
PubChem CID102867487
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C14H21NO4S/c1-19-13-7-3-8-14(11-13)20(17,18)15(9-4-10-16)12-5-2-6-12/h3,7-8,11-12,16H,2,4-6,9-10H2,1H3
InChIKeyDJLYEGPROHROND-UHFFFAOYSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 102847558
N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide
CID 102873415
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815
3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 102859099
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54995323
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 24730709
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 107483531
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
CID 81265308
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102868308

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide (CID 102867487) is N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)N(CCCO)C2CCC2)c1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide?
The InChIKey is DJLYEGPROHROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-19-13-7-3-8-14(11-13)20(17,18)15(9-4-10-16)12-5-2-6-12/h3,7-8,11-12,16H,2,4-6,9-10H2,1H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide?
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 102867487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).