N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide

C13H20N2O3S — CID 66007000

IUPACN-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC1CC(O)C1
InChIInChI=1S/C13H20N2O3S/c1-2-15-19(17,18)13-6-4-3-5-12(13)14-9-10-7-11(16)8-10/h3-6,10-11,14-16H,2,7-9H2,1H3
InChIKeyYCXMJZQDMJCWNU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.17
Rot. Bonds6

About N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide

N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide (PubChem CID 66007000) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
PubChem CID66007000
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC1CC(O)C1
InChIInChI=1S/C13H20N2O3S/c1-2-15-19(17,18)13-6-4-3-5-12(13)14-9-10-7-11(16)8-10/h3-6,10-11,14-16H,2,7-9H2,1H3
InChIKeyYCXMJZQDMJCWNU-UHFFFAOYSA-N
XLogP1.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
2-(cyclopropylmethylamino)-N-[2-(ethylsulfamoyl)phenyl]acetamide
CID 60866551
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 43454407
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110425
N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide
CID 103549161
2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide
CID 114632717
2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
CID 60972017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide (CID 66007000) is N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCC1CC(O)C1.
What is the InChIKey of N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide?
The InChIKey is YCXMJZQDMJCWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-15-19(17,18)13-6-4-3-5-12(13)14-9-10-7-11(16)8-10/h3-6,10-11,14-16H,2,7-9H2,1H3.
What are the key properties of N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide?
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 66007000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).