N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide

C15H21NO4S — CID 64866337

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H21NO4S/c1-21(19,20)13-7-5-6-12(10-13)14(17)16-11-15(18)8-3-2-4-9-15/h5-7,10,18H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKeyOZJBMHUTIRDXKF-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.52
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide

N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide (PubChem CID 64866337) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
PubChem CID64866337
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H21NO4S/c1-21(19,20)13-7-5-6-12(10-13)14(17)16-11-15(18)8-3-2-4-9-15/h5-7,10,18H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKeyOZJBMHUTIRDXKF-UHFFFAOYSA-N
XLogP1.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605
N-[1-(chloromethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 114300601
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111459566
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
CID 55243718
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methylsulfonylbenzamide
CID 55889890
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide (CID 64866337) is N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide?
The InChIKey is OZJBMHUTIRDXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-21(19,20)13-7-5-6-12(10-13)14(17)16-11-15(18)8-3-2-4-9-15/h5-7,10,18H,2-4,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide?
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide has a molecular weight of 311.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 64866337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).