N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide

C15H21N3O3S — CID 47056528

IUPACN,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCCC2c2ccc[nH]2)o1
InChIInChI=1S/C15H21N3O3S/c1-17(2)22(19,20)15-8-7-12(21-15)11-18-10-4-6-14(18)13-5-3-9-16-13/h3,5,7-9,14,16H,4,6,10-11H2,1-2H3
InChIKeyTZCXFMJJAMFCQN-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.20
Rot. Bonds5

About N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide

N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide (PubChem CID 47056528) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide
PubChem CID47056528
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCCC2c2ccc[nH]2)o1
InChIInChI=1S/C15H21N3O3S/c1-17(2)22(19,20)15-8-7-12(21-15)11-18-10-4-6-14(18)13-5-3-9-16-13/h3,5,7-9,14,16H,4,6,10-11H2,1-2H3
InChIKeyTZCXFMJJAMFCQN-UHFFFAOYSA-N
XLogP2.20
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide (CID 47056528) is N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN2CCCC2c2ccc[nH]2)o1.
What is the InChIKey of N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide?
The InChIKey is TZCXFMJJAMFCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-17(2)22(19,20)15-8-7-12(21-15)11-18-10-4-6-14(18)13-5-3-9-16-13/h3,5,7-9,14,16H,4,6,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide is sourced from PubChem (CID 47056528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).