N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide

C14H19NO4S — CID 136582744

IUPACN-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)NC2CC(O)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-9(2)20(18,19)13-5-3-10(4-6-13)14(17)15-11-7-12(16)8-11/h3-6,9,11-12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyOTWSQUYKGMYQFV-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.12
Rot. Bonds4

About N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide

N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 136582744) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide
PubChem CID136582744
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)NC2CC(O)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-9(2)20(18,19)13-5-3-10(4-6-13)14(17)15-11-7-12(16)8-11/h3-6,9,11-12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyOTWSQUYKGMYQFV-UHFFFAOYSA-N
XLogP1.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide
CID 46485032
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
4-propan-2-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51955051
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97040062
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
CID 89343699
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide
CID 51089057
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide (CID 136582744) is N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(C(=O)NC2CC(O)C2)cc1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is OTWSQUYKGMYQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9(2)20(18,19)13-5-3-10(4-6-13)14(17)15-11-7-12(16)8-11/h3-6,9,11-12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide?
N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 297.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 136582744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).