5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide

C20H25FN4O3S — CID 20972171

IUPAC5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCNCC1
InChIInChI=1S/C20H25FN4O3S/c1-14(2)23-20(26)18-13-16(5-8-19(18)25-11-9-22-10-12-25)24-29(27,28)17-6-3-15(21)4-7-17/h3-8,13-14,22,24H,9-12H2,1-2H3,(H,23,26)
InChIKeyXSKVUTCWKYBDAV-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.17
Rot. Bonds6

About 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide

5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide (PubChem CID 20972171) has the molecular formula C20H25FN4O3S and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
PubChem CID20972171
Molecular FormulaC20H25FN4O3S
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC Name5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCNCC1
InChIInChI=1S/C20H25FN4O3S/c1-14(2)23-20(26)18-13-16(5-8-19(18)25-11-9-22-10-12-25)24-29(27,28)17-6-3-15(21)4-7-17/h3-8,13-14,22,24H,9-12H2,1-2H3,(H,23,26)
InChIKeyXSKVUTCWKYBDAV-UHFFFAOYSA-N
XLogP2.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92880534
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylbenzamide
CID 46379635
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883
N-butan-2-yl-5-[(4-ethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062526
5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
CID 46379559
N-butan-2-yl-5-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 163337370
5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379578
N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 92880535
5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide
CID 46379661
4-[4-(benzenesulfonamido)-2-[(4-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42679047
5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
CID 50822911
N-[(2R)-butan-2-yl]-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92895458

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide (CID 20972171) is 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCNCC1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide?
The InChIKey is XSKVUTCWKYBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3S/c1-14(2)23-20(26)18-13-16(5-8-19(18)25-11-9-22-10-12-25)24-29(27,28)17-6-3-15(21)4-7-17/h3-8,13-14,22,24H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide?
5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide has a molecular weight of 420.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide is sourced from PubChem (CID 20972171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).