N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C25H36N4O5S2 — CID 3547247

IUPACN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C25H36N4O5S2/c1-5-27(6-2)24-15-14-22(35(31,32)28(7-3)8-4)19-23(24)26-25(30)20-12-11-13-21(18-20)36(33,34)29-16-9-10-17-29/h11-15,18-19H,5-10,16-17H2,1-4H3,(H,26,30)
InChIKeyNUZSKYJIGJTUPO-UHFFFAOYSA-N
MW536.72 g/mol
LogP3.60
Rot. Bonds11

About N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3547247) has the molecular formula C25H36N4O5S2 and a molecular weight of 536.72 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3547247
Molecular FormulaC25H36N4O5S2
Molecular Weight536.72 g/mol
Exact Mass536.21
IUPAC NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C25H36N4O5S2/c1-5-27(6-2)24-15-14-22(35(31,32)28(7-3)8-4)19-23(24)26-25(30)20-12-11-13-21(18-20)36(33,34)29-16-9-10-17-29/h11-15,18-19H,5-10,16-17H2,1-4H3,(H,26,30)
InChIKeyNUZSKYJIGJTUPO-UHFFFAOYSA-N
XLogP3.60
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4986989
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
CID 25336498
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 16562748
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581645
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
CID 55876228
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 3547247) is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NUZSKYJIGJTUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O5S2/c1-5-27(6-2)24-15-14-22(35(31,32)28(7-3)8-4)19-23(24)26-25(30)20-12-11-13-21(18-20)36(33,34)29-16-9-10-17-29/h11-15,18-19H,5-10,16-17H2,1-4H3,(H,26,30).
What are the key properties of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 536.72 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3547247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).