4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide

C13H17ClN2O3S — CID 25247054

IUPAC4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H17ClN2O3S/c1-15(2)13(17)10-5-6-11(14)12(9-10)20(18,19)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyXRVXKGIHWRRTPH-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.83
Rot. Bonds3

About 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide

4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 25247054) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID25247054
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H17ClN2O3S/c1-15(2)13(17)10-5-6-11(14)12(9-10)20(18,19)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyXRVXKGIHWRRTPH-UHFFFAOYSA-N
XLogP1.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-chlorobenzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
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[4-Chloro-3-(morpholine-4-sulfonyl)-phenyl]-(4-ethyl-piperazin-1-yl)-methanone
CID 1022001
2-chloro-N-(3-methylphenyl)-5-(1-pyrrolidinylcarbonyl)benzenesulfonamide
CID 1265015
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 25247054) is 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide is CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XRVXKGIHWRRTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-15(2)13(17)10-5-6-11(14)12(9-10)20(18,19)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide?
4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 25247054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).