1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C16H17ClN2O4S — CID 55598353

IUPAC1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O4S/c17-13-6-1-2-8-15(13)24(21,22)19-9-3-7-14(19)16(20)18-11-12-5-4-10-23-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,18,20)
InChIKeyWELPYCIDAPBQIK-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.40
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 55598353) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID55598353
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O4S/c17-13-6-1-2-8-15(13)24(21,22)19-9-3-7-14(19)16(20)18-11-12-5-4-10-23-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,18,20)
InChIKeyWELPYCIDAPBQIK-UHFFFAOYSA-N
XLogP2.40
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 4881632
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 51035281
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56582169
1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 24625238
methyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023574
1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 23597176
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 99636781

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 55598353) is 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is WELPYCIDAPBQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c17-13-6-1-2-8-15(13)24(21,22)19-9-3-7-14(19)16(20)18-11-12-5-4-10-23-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,18,20).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 368.84 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55598353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).