4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide

C16H24N4O3S — CID 134043084

IUPAC4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C16H24N4O3S/c17-24(22,23)20-11-9-18(10-12-20)13-14-3-5-15(6-4-14)16(21)19-7-1-2-8-19/h3-6H,1-2,7-13H2,(H2,17,22,23)
InChIKeyPJPRAEAZKVBCIF-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.24
Rot. Bonds4

About 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide

4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide (PubChem CID 134043084) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
PubChem CID134043084
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C16H24N4O3S/c17-24(22,23)20-11-9-18(10-12-20)13-14-3-5-15(6-4-14)16(21)19-7-1-2-8-19/h3-6H,1-2,7-13H2,(H2,17,22,23)
InChIKeyPJPRAEAZKVBCIF-UHFFFAOYSA-N
XLogP0.24
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43924483
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26173836
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 34227959
[4-(piperidin-1-ylmethyl)phenyl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24654694
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
[4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 111489787
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 74236555

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide (CID 134043084) is 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide?
The InChIKey is PJPRAEAZKVBCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c17-24(22,23)20-11-9-18(10-12-20)13-14-3-5-15(6-4-14)16(21)19-7-1-2-8-19/h3-6H,1-2,7-13H2,(H2,17,22,23).
What are the key properties of 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide?
4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 134043084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).