N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide

C13H18ClN3O4S — CID 119704304

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC(O)CN1
InChIInChI=1S/C13H18ClN3O4S/c14-9-2-1-3-11(6-9)22(20,21)17-5-4-15-13(19)12-7-10(18)8-16-12/h1-3,6,10,12,16-18H,4-5,7-8H2,(H,15,19)
InChIKeyLOLMVVJEFQVZLX-UHFFFAOYSA-N
MW347.82 g/mol
LogP-0.54
Rot. Bonds6

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119704304) has the molecular formula C13H18ClN3O4S and a molecular weight of 347.82 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119704304
Molecular FormulaC13H18ClN3O4S
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC(O)CN1
InChIInChI=1S/C13H18ClN3O4S/c14-9-2-1-3-11(6-9)22(20,21)17-5-4-15-13(19)12-7-10(18)8-16-12/h1-3,6,10,12,16-18H,4-5,7-8H2,(H,15,19)
InChIKeyLOLMVVJEFQVZLX-UHFFFAOYSA-N
XLogP-0.54
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 119755120
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
CID 55588147
trans-(1S,2S)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97339931
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936053
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine
CID 111043972
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide
CID 32999320

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119704304) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC(O)CN1.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LOLMVVJEFQVZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4S/c14-9-2-1-3-11(6-9)22(20,21)17-5-4-15-13(19)12-7-10(18)8-16-12/h1-3,6,10,12,16-18H,4-5,7-8H2,(H,15,19).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 347.82 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119704304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).