N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C19H22N2O6S2 — CID 40988381

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H22N2O6S2/c22-19-4-1-10-20(19)15-5-7-18(8-6-15)29(25,26)21(13-17-3-2-11-27-17)16-9-12-28(23,24)14-16/h2-3,5-8,11,16H,1,4,9-10,12-14H2/t16-/m0/s1
InChIKeyYAFRBQFULWTNAA-INIZCTEOSA-N
MW438.53 g/mol
LogP1.78
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 40988381) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID40988381
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H22N2O6S2/c22-19-4-1-10-20(19)15-5-7-18(8-6-15)29(25,26)21(13-17-3-2-11-27-17)16-9-12-28(23,24)14-16/h2-3,5-8,11,16H,1,4,9-10,12-14H2/t16-/m0/s1
InChIKeyYAFRBQFULWTNAA-INIZCTEOSA-N
XLogP1.78
TPSA104.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 24511568
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2559812
N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284122
3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 115328878
N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861
4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24511008
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 40988381) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is YAFRBQFULWTNAA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c22-19-4-1-10-20(19)15-5-7-18(8-6-15)29(25,26)21(13-17-3-2-11-27-17)16-9-12-28(23,24)14-16/h2-3,5-8,11,16H,1,4,9-10,12-14H2/t16-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 438.53 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 40988381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).