N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide

C23H29FN4O4S — CID 34999302

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H29FN4O4S/c24-20-3-5-21(6-4-20)27-13-11-26(12-14-27)10-9-25-23(29)19-1-7-22(8-2-19)33(30,31)28-15-17-32-18-16-28/h1-8H,9-18H2,(H,25,29)
InChIKeyTWBUJBCIDRLEKC-UHFFFAOYSA-N
MW476.57 g/mol
LogP1.40
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 34999302) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID34999302
Molecular FormulaC23H29FN4O4S
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H29FN4O4S/c24-20-3-5-21(6-4-20)27-13-11-26(12-14-27)10-9-25-23(29)19-1-7-22(8-2-19)33(30,31)28-15-17-32-18-16-28/h1-8H,9-18H2,(H,25,29)
InChIKeyTWBUJBCIDRLEKC-UHFFFAOYSA-N
XLogP1.40
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 19258233
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
N-[[4-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 4188694
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 44961219
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 55635058
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 34999302) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is TWBUJBCIDRLEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c24-20-3-5-21(6-4-20)27-13-11-26(12-14-27)10-9-25-23(29)19-1-7-22(8-2-19)33(30,31)28-15-17-32-18-16-28/h1-8H,9-18H2,(H,25,29).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 476.57 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 34999302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).