3-(benzenesulfinyl)benzamide;pyrrolidine

C17H20N2O2S — CID 143667202

IUPAC3-(benzenesulfinyl)benzamide;pyrrolidine
SMILESC1CCNC1.NC(=O)c1cccc(S(=O)c2ccccc2)c1
InChIInChI=1S/C13H11NO2S.C4H9N/c14-13(15)10-5-4-8-12(9-10)17(16)11-6-2-1-3-7-11;1-2-4-5-3-1/h1-9H,(H2,14,15);5H,1-4H2
InChIKeyKNXJYTPXZDZTIU-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.32
Rot. Bonds3

About 3-(benzenesulfinyl)benzamide;pyrrolidine

3-(benzenesulfinyl)benzamide;pyrrolidine (PubChem CID 143667202) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(benzenesulfinyl)benzamide;pyrrolidine.

Molecular Properties

Compound Name3-(benzenesulfinyl)benzamide;pyrrolidine
PubChem CID143667202
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-(benzenesulfinyl)benzamide;pyrrolidine
SMILESC1CCNC1.NC(=O)c1cccc(S(=O)c2ccccc2)c1
InChIInChI=1S/C13H11NO2S.C4H9N/c14-13(15)10-5-4-8-12(9-10)17(16)11-6-2-1-3-7-11;1-2-4-5-3-1/h1-9H,(H2,14,15);5H,1-4H2
InChIKeyKNXJYTPXZDZTIU-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbamoylbenzenesulfinate
CID 90016444
[3-(benzenesulfinyl)phenyl] 3-methylpentanoate;methanamine;pyrrolidine
CID 143667197
azane;bis(benzenecarbothioic S-acid);pyrrolidine
CID 175276149
benzenesulfinylbenzene;1,1-diaminourea
CID 174862633
3-carbamoylbenzoic acid
CID 3014284
3-(1,4-diazepan-1-ylmethyl)benzamide;hydrochloride
CID 119906487
4-phenylbenzoic acid;piperidine
CID 67667753
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
diphenylmethanethione;pyrrolidine
CID 175544055
azane;azepane;terephthalic acid
CID 129314058

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)benzamide;pyrrolidine?
The IUPAC name of 3-(benzenesulfinyl)benzamide;pyrrolidine (CID 143667202) is 3-(benzenesulfinyl)benzamide;pyrrolidine.
What is the SMILES notation for 3-(benzenesulfinyl)benzamide;pyrrolidine?
The canonical SMILES for 3-(benzenesulfinyl)benzamide;pyrrolidine is C1CCNC1.NC(=O)c1cccc(S(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfinyl)benzamide;pyrrolidine?
The InChIKey is KNXJYTPXZDZTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S.C4H9N/c14-13(15)10-5-4-8-12(9-10)17(16)11-6-2-1-3-7-11;1-2-4-5-3-1/h1-9H,(H2,14,15);5H,1-4H2.
What are the key properties of 3-(benzenesulfinyl)benzamide;pyrrolidine?
3-(benzenesulfinyl)benzamide;pyrrolidine has a molecular weight of 316.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)benzamide;pyrrolidine is sourced from PubChem (CID 143667202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).