N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide

C19H25FN4O2S — CID 22272539

IUPACN-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCCNc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H25FN4O2S/c1-3-21-19-14-16(24-11-9-23(2)10-12-24)7-8-18(19)22-27(25,26)17-6-4-5-15(20)13-17/h4-8,13-14,21-22H,3,9-12H2,1-2H3
InChIKeyPAKQKYBVAACSLL-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide

N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 22272539) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID22272539
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC NameN-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCCNc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H25FN4O2S/c1-3-21-19-14-16(24-11-9-23(2)10-12-24)7-8-18(19)22-27(25,26)17-6-4-5-15(20)13-17/h4-8,13-14,21-22H,3,9-12H2,1-2H3
InChIKeyPAKQKYBVAACSLL-UHFFFAOYSA-N
XLogP2.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline
CID 18508938
N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508923
3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46291743
N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 56654456
N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508987
2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline
CID 18508888
ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate
CID 36619347
2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline
CID 18508958
3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266845
N-[2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]butanamide
CID 90802798
2-[(3,4-dimethylphenyl)sulfonylamino]-5-(4-methylpiperazin-1-yl)benzoic acid
CID 50780938
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 10166293

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide (CID 22272539) is N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide is CCNc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is PAKQKYBVAACSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c1-3-21-19-14-16(24-11-9-23(2)10-12-24)7-8-18(19)22-27(25,26)17-6-4-5-15(20)13-17/h4-8,13-14,21-22H,3,9-12H2,1-2H3.
What are the key properties of N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide?
N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 22272539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).