N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide

C13H18N2O3S — CID 26264709

IUPACN-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-2-14-13(16)11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)
InChIKeyIATSPRGMJQINJO-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.22
Rot. Bonds4

About N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide

N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26264709) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26264709
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-2-14-13(16)11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)
InChIKeyIATSPRGMJQINJO-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide (CID 26264709) is N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide is CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is IATSPRGMJQINJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-14-13(16)11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16).
What are the key properties of N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide?
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26264709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).