2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide

C19H20ClF2N3O4S — CID 17024298

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H20ClF2N3O4S/c20-16-12-14(6-7-17(16)29-19(21)22)23-18(26)13-24-8-10-25(11-9-24)30(27,28)15-4-2-1-3-5-15/h1-7,12,19H,8-11,13H2,(H,23,26)
InChIKeyMHBWWNZACFBKGS-UHFFFAOYSA-N
MW459.90 g/mol
LogP2.89
Rot. Bonds7

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide (PubChem CID 17024298) has the molecular formula C19H20ClF2N3O4S and a molecular weight of 459.90 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
PubChem CID17024298
Molecular FormulaC19H20ClF2N3O4S
Molecular Weight459.90 g/mol
Exact Mass459.08
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H20ClF2N3O4S/c20-16-12-14(6-7-17(16)29-19(21)22)23-18(26)13-24-8-10-25(11-9-24)30(27,28)15-4-2-1-3-5-15/h1-7,12,19H,8-11,13H2,(H,23,26)
InChIKeyMHBWWNZACFBKGS-UHFFFAOYSA-N
XLogP2.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.90
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801340
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 55649112
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3244475
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
(3S,4S)-1-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120951
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 27194088
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055274
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110880942

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide (CID 17024298) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is MHBWWNZACFBKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O4S/c20-16-12-14(6-7-17(16)29-19(21)22)23-18(26)13-24-8-10-25(11-9-24)30(27,28)15-4-2-1-3-5-15/h1-7,12,19H,8-11,13H2,(H,23,26).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 459.90 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 17024298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).