[4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone

C17H18ClNO3S2 — CID 134005205

IUPAC[4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CS(=O)(=O)Cc2ccc(Cl)s2)cc1)N1CCCC1
InChIInChI=1S/C17H18ClNO3S2/c18-16-8-7-15(23-16)12-24(21,22)11-13-3-5-14(6-4-13)17(20)19-9-1-2-10-19/h3-8H,1-2,9-12H2
InChIKeyPCMIPUFSLAGPIK-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.75
Rot. Bonds5

About [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 134005205) has the molecular formula C17H18ClNO3S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID134005205
Molecular FormulaC17H18ClNO3S2
Molecular Weight383.92 g/mol
Exact Mass383.04
IUPAC Name[4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CS(=O)(=O)Cc2ccc(Cl)s2)cc1)N1CCCC1
InChIInChI=1S/C17H18ClNO3S2/c18-16-8-7-15(23-16)12-24(21,22)11-13-3-5-14(6-4-13)17(20)19-9-1-2-10-19/h3-8H,1-2,9-12H2
InChIKeyPCMIPUFSLAGPIK-UHFFFAOYSA-N
XLogP3.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 78852573
[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 86832859
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 27841360
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 60641592
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylmethyl]benzoic acid
CID 94804338
4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
CID 134043084
N-[(5-chlorothiophen-2-yl)methyl]-N-methylazepane-1-carboxamide
CID 116654598
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone (CID 134005205) is [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(CS(=O)(=O)Cc2ccc(Cl)s2)cc1)N1CCCC1.
What is the InChIKey of [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PCMIPUFSLAGPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S2/c18-16-8-7-15(23-16)12-24(21,22)11-13-3-5-14(6-4-13)17(20)19-9-1-2-10-19/h3-8H,1-2,9-12H2.
What are the key properties of [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.92 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chlorothiophen-2-yl)methylsulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134005205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).