4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

C17H21N5O3S — CID 109297701

IUPAC4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccc(C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C17H21N5O3S/c18-26(24,25)14-5-3-13(4-6-14)7-9-19-17-20-10-8-15(21-17)16(23)22-11-1-2-12-22/h3-6,8,10H,1-2,7,9,11-12H2,(H2,18,24,25)(H,19,20,21)
InChIKeyJMUBCAPYLRXFLH-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.01
Rot. Bonds6

About 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 109297701) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID109297701
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccc(C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C17H21N5O3S/c18-26(24,25)14-5-3-13(4-6-14)7-9-19-17-20-10-8-15(21-17)16(23)22-11-1-2-12-22/h3-6,8,10H,1-2,7,9,11-12H2,(H2,18,24,25)(H,19,20,21)
InChIKeyJMUBCAPYLRXFLH-UHFFFAOYSA-N
XLogP1.01
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109309740
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109226302
4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109184599
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
ethyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109299362

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (CID 109297701) is 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nccc(C(=O)N3CCCC3)n2)cc1.
What is the InChIKey of 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is JMUBCAPYLRXFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c18-26(24,25)14-5-3-13(4-6-14)7-9-19-17-20-10-8-15(21-17)16(23)22-11-1-2-12-22/h3-6,8,10H,1-2,7,9,11-12H2,(H2,18,24,25)(H,19,20,21).
What are the key properties of 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 109297701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).