N-(3-piperidin-1-ylsulfonylphenyl)formamide

C12H16N2O3S — CID 168654481

IUPACN-(3-piperidin-1-ylsulfonylphenyl)formamide
SMILESO=CNc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H16N2O3S/c15-10-13-11-5-4-6-12(9-11)18(16,17)14-7-2-1-3-8-14/h4-6,9-10H,1-3,7-8H2,(H,13,15)
InChIKeyORFLGMYFMPGAIV-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.43
Rot. Bonds4

About N-(3-piperidin-1-ylsulfonylphenyl)formamide

N-(3-piperidin-1-ylsulfonylphenyl)formamide (PubChem CID 168654481) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)formamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)formamide
PubChem CID168654481
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)formamide
SMILESO=CNc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H16N2O3S/c15-10-13-11-5-4-6-12(9-11)18(16,17)14-7-2-1-3-8-14/h4-6,9-10H,1-3,7-8H2,(H,13,15)
InChIKeyORFLGMYFMPGAIV-UHFFFAOYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide
CID 168652488
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
1-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 4086118
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)formamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)formamide (CID 168654481) is N-(3-piperidin-1-ylsulfonylphenyl)formamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)formamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)formamide is O=CNc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)formamide?
The InChIKey is ORFLGMYFMPGAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10-13-11-5-4-6-12(9-11)18(16,17)14-7-2-1-3-8-14/h4-6,9-10H,1-3,7-8H2,(H,13,15).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)formamide?
N-(3-piperidin-1-ylsulfonylphenyl)formamide has a molecular weight of 268.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)formamide is sourced from PubChem (CID 168654481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).