3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide

C12H16N2O3S — CID 47363389

IUPAC3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccc(C(=O)NS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H16N2O3S/c1-10-5-4-6-11(9-10)12(15)13-18(16,17)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15)
InChIKeyVHKWQSAWLIOSFS-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.07
Rot. Bonds3

About 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide

3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 47363389) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID47363389
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccc(C(=O)NS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H16N2O3S/c1-10-5-4-6-11(9-10)12(15)13-18(16,17)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15)
InChIKeyVHKWQSAWLIOSFS-UHFFFAOYSA-N
XLogP1.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-methylsulfonylbenzamide
CID 18331681
3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide
CID 60565196
N-ethylsulfonyl-3-methylbenzamide
CID 18331692
1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
CID 118100925
N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 17476145
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
CID 110632659
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide (CID 47363389) is 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide is Cc1cccc(C(=O)NS(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VHKWQSAWLIOSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10-5-4-6-11(9-10)12(15)13-18(16,17)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15).
What are the key properties of 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide?
3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 47363389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).