N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C18H22N2O4S2 — CID 2696858

IUPACN-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-2-15-7-3-4-8-18(15)19-25(21,22)16-9-11-17(12-10-16)26(23,24)20-13-5-6-14-20/h3-4,7-12,19H,2,5-6,13-14H2,1H3
InChIKeyLUOUFNFXCKWJKE-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.83
Rot. Bonds6

About N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 2696858) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID2696858
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-2-15-7-3-4-8-18(15)19-25(21,22)16-9-11-17(12-10-16)26(23,24)20-13-5-6-14-20/h3-4,7-12,19H,2,5-6,13-14H2,1H3
InChIKeyLUOUFNFXCKWJKE-UHFFFAOYSA-N
XLogP2.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 26979760
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55895716
N-(2-ethylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372480
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660
1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-ethylphenyl)thiourea
CID 55426927

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 2696858) is N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is LUOUFNFXCKWJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-2-15-7-3-4-8-18(15)19-25(21,22)16-9-11-17(12-10-16)26(23,24)20-13-5-6-14-20/h3-4,7-12,19H,2,5-6,13-14H2,1H3.
What are the key properties of N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 2696858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).