4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide

C12H17ClN2O2S — CID 63299171

IUPAC4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c1-2-15(11-7-8-14-9-11)18(16,17)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3
InChIKeyOAEKFJWIPJNBNV-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.71
Rot. Bonds4

About 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide

4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63299171) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63299171
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c1-2-15(11-7-8-14-9-11)18(16,17)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3
InChIKeyOAEKFJWIPJNBNV-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299303
4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299791
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 55206101
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63299171) is 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is OAEKFJWIPJNBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-2-15(11-7-8-14-9-11)18(16,17)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63299171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).