N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide

C13H18N2O4S — CID 115877995

IUPACN-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NC2(CO)CCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-20(18,19)15-11-5-3-10(4-6-11)12(17)14-13(9-16)7-2-8-13/h3-6,15-16H,2,7-9H2,1H3,(H,14,17)
InChIKeyVBWOJDAAUPKVCV-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.70
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide

N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide (PubChem CID 115877995) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide
PubChem CID115877995
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NC2(CO)CCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-20(18,19)15-11-5-3-10(4-6-11)12(17)14-13(9-16)7-2-8-13/h3-6,15-16H,2,7-9H2,1H3,(H,14,17)
InChIKeyVBWOJDAAUPKVCV-UHFFFAOYSA-N
XLogP0.70
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
N-[1-(hydroxymethyl)cyclopentyl]-4-(pentanoylamino)benzamide
CID 50952378
4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55082146
4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 110008816
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
CID 43392916
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
CID 62517205

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide (CID 115877995) is N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NC2(CO)CCC2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide?
The InChIKey is VBWOJDAAUPKVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(18,19)15-11-5-3-10(4-6-11)12(17)14-13(9-16)7-2-8-13/h3-6,15-16H,2,7-9H2,1H3,(H,14,17).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide?
N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide has a molecular weight of 298.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 115877995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).