3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide

C13H17ClN2O3S — CID 63661655

IUPAC3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN1C(=O)c1c(Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O3S/c1-2-9-5-4-8-16(9)13(17)12-10(14)6-3-7-11(12)20(15,18)19/h3,6-7,9H,2,4-5,8H2,1H3,(H2,15,18,19)
InChIKeyBORVHHHATRXXNY-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.00
Rot. Bonds3

About 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide

3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 63661655) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID63661655
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN1C(=O)c1c(Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O3S/c1-2-9-5-4-8-16(9)13(17)12-10(14)6-3-7-11(12)20(15,18)19/h3,6-7,9H,2,4-5,8H2,1H3,(H2,15,18,19)
InChIKeyBORVHHHATRXXNY-UHFFFAOYSA-N
XLogP2.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide
CID 115561055
5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388766
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 95382756
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65371925
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866905
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 63661655) is 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide is CCC1CCCN1C(=O)c1c(Cl)cccc1S(N)(=O)=O.
What is the InChIKey of 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is BORVHHHATRXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-2-9-5-4-8-16(9)13(17)12-10(14)6-3-7-11(12)20(15,18)19/h3,6-7,9H,2,4-5,8H2,1H3,(H2,15,18,19).
What are the key properties of 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 63661655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).