N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide

C17H18ClF2N3O2S — CID 78787086

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide
SMILESCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H18ClF2N3O2S/c1-22-6-8-23(9-7-22)17-5-2-12(18)10-16(17)21-26(24,25)13-3-4-14(19)15(20)11-13/h2-5,10-11,21H,6-9H2,1H3
InChIKeyCGYXVSLUIRDRBJ-UHFFFAOYSA-N
MW401.87 g/mol
LogP3.17
Rot. Bonds4

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide (PubChem CID 78787086) has the molecular formula C17H18ClF2N3O2S and a molecular weight of 401.87 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide
PubChem CID78787086
Molecular FormulaC17H18ClF2N3O2S
Molecular Weight401.87 g/mol
Exact Mass401.08
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide
SMILESCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H18ClF2N3O2S/c1-22-6-8-23(9-7-22)17-5-2-12(18)10-16(17)21-26(24,25)13-3-4-14(19)15(20)11-13/h2-5,10-11,21H,6-9H2,1H3
InChIKeyCGYXVSLUIRDRBJ-UHFFFAOYSA-N
XLogP3.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112807801
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860759
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46291743
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 17458980
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 156599254
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 22433280
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 35355750

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide (CID 78787086) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide is CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is CGYXVSLUIRDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N3O2S/c1-22-6-8-23(9-7-22)17-5-2-12(18)10-16(17)21-26(24,25)13-3-4-14(19)15(20)11-13/h2-5,10-11,21H,6-9H2,1H3.
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 401.87 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 78787086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).