2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C18H25ClN2O3S2 — CID 32542151

IUPAC2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCSC1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C18H25ClN2O3S2/c19-17-8-7-15(26(23,24)21-10-3-4-11-21)13-16(17)18(22)20-9-12-25-14-5-1-2-6-14/h7-8,13-14H,1-6,9-12H2,(H,20,22)
InChIKeyFYKFLZMZWHUSLF-UHFFFAOYSA-N
MW417.00 g/mol
LogP3.53
Rot. Bonds7

About 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 32542151) has the molecular formula C18H25ClN2O3S2 and a molecular weight of 417.00 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID32542151
Molecular FormulaC18H25ClN2O3S2
Molecular Weight417.00 g/mol
Exact Mass416.10
IUPAC Name2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCSC1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C18H25ClN2O3S2/c19-17-8-7-15(26(23,24)21-10-3-4-11-21)13-16(17)18(22)20-9-12-25-14-5-1-2-6-14/h7-8,13-14H,1-6,9-12H2,(H,20,22)
InChIKeyFYKFLZMZWHUSLF-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.00
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26374148
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylsulfanylethyl)piperidine-3-carboxamide
CID 32543820
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 18127231
5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
CID 38014027
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 32542151) is 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCSC1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is FYKFLZMZWHUSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S2/c19-17-8-7-15(26(23,24)21-10-3-4-11-21)13-16(17)18(22)20-9-12-25-14-5-1-2-6-14/h7-8,13-14H,1-6,9-12H2,(H,20,22).
What are the key properties of 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 417.00 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 32542151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).