N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C21H27ClN4O4S — CID 55681670

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)NCC(c2ccccc2Cl)N2CCOCC2)c[nH]1)N1CCCC1
InChIInChI=1S/C21H27ClN4O4S/c22-18-6-2-1-5-17(18)20(25-9-11-30-12-10-25)15-24-31(28,29)16-13-19(23-14-16)21(27)26-7-3-4-8-26/h1-2,5-6,13-14,20,23-24H,3-4,7-12,15H2
InChIKeySKRZPTNFDKSYCG-UHFFFAOYSA-N
MW466.99 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 55681670) has the molecular formula C21H27ClN4O4S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID55681670
Molecular FormulaC21H27ClN4O4S
Molecular Weight466.99 g/mol
Exact Mass466.14
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)NCC(c2ccccc2Cl)N2CCOCC2)c[nH]1)N1CCCC1
InChIInChI=1S/C21H27ClN4O4S/c22-18-6-2-1-5-17(18)20(25-9-11-30-12-10-25)15-24-31(28,29)16-13-19(23-14-16)21(27)26-7-3-4-8-26/h1-2,5-6,13-14,20,23-24H,3-4,7-12,15H2
InChIKeySKRZPTNFDKSYCG-UHFFFAOYSA-N
XLogP2.26
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55988627
N-[1-(2-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018887
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 43064531
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
ethyl 4-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]benzoate
CID 43064502
2-(2-chlorophenyl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110633437
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 43064486
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 55681670) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is O=C(c1cc(S(=O)(=O)NCC(c2ccccc2Cl)N2CCOCC2)c[nH]1)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is SKRZPTNFDKSYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O4S/c22-18-6-2-1-5-17(18)20(25-9-11-30-12-10-25)15-24-31(28,29)16-13-19(23-14-16)21(27)26-7-3-4-8-26/h1-2,5-6,13-14,20,23-24H,3-4,7-12,15H2.
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 466.99 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 55681670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).