N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide

C18H19F2N3O5S2 — CID 55350252

IUPACN-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H19F2N3O5S2/c1-29(25,26)21-17-5-3-2-4-14(17)18(24)22-8-10-23(11-9-22)30(27,28)13-6-7-15(19)16(20)12-13/h2-7,12,21H,8-11H2,1H3
InChIKeyYZJYBLJTMNSLRM-UHFFFAOYSA-N
MW459.50 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide

N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 55350252) has the molecular formula C18H19F2N3O5S2 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID55350252
Molecular FormulaC18H19F2N3O5S2
Molecular Weight459.50 g/mol
Exact Mass459.07
IUPAC NameN-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H19F2N3O5S2/c1-29(25,26)21-17-5-3-2-4-14(17)18(24)22-8-10-23(11-9-22)30(27,28)13-6-7-15(19)16(20)12-13/h2-7,12,21H,8-11H2,1H3
InChIKeyYZJYBLJTMNSLRM-UHFFFAOYSA-N
XLogP1.48
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 32644263
(2,5-difluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30485284
(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 46489820
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26766469
(3-bromo-2-hydroxy-5-methylphenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55940824
(2-chloro-6-fluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38167847
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
(5-bromo-2-fluorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26872183
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24663333
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 4828425
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26204325
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonylphenyl]acetamide;oxalic acid
CID 126477348

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide (CID 55350252) is N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is YZJYBLJTMNSLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O5S2/c1-29(25,26)21-17-5-3-2-4-14(17)18(24)22-8-10-23(11-9-22)30(27,28)13-6-7-15(19)16(20)12-13/h2-7,12,21H,8-11H2,1H3.
What are the key properties of N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 459.50 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 55350252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).