4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide

C14H20N2O4S — CID 60958439

IUPAC4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-15-14(18)12-2-4-13(5-3-12)21(19,20)16-8-6-11(10-17)7-9-16/h2-5,11,17H,6-10H2,1H3,(H,15,18)
InChIKeyKALLJXYEIGRMDH-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.44
Rot. Bonds4

About 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide

4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide (PubChem CID 60958439) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide
PubChem CID60958439
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-15-14(18)12-2-4-13(5-3-12)21(19,20)16-8-6-11(10-17)7-9-16/h2-5,11,17H,6-10H2,1H3,(H,15,18)
InChIKeyKALLJXYEIGRMDH-UHFFFAOYSA-N
XLogP0.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide
CID 81209377
3-[4-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 60844239
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
CID 43066002
4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid
CID 62206118
4-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 154899195
N-methyl-4-[(E)-3-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-3-oxoprop-1-enyl]benzamide
CID 55558522
ethyl (3R)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 27299704
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 115312365
N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 45307785
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide?
The IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide (CID 60958439) is 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide?
The canonical SMILES for 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)N2CCC(CO)CC2)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide?
The InChIKey is KALLJXYEIGRMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-15-14(18)12-2-4-13(5-3-12)21(19,20)16-8-6-11(10-17)7-9-16/h2-5,11,17H,6-10H2,1H3,(H,15,18).
What are the key properties of 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide?
4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide is sourced from PubChem (CID 60958439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).