N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide

C20H25N3O3S — CID 2988153

IUPACN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-3-22-12-14-23(15-13-22)20(24)17-6-8-18(9-7-17)21-27(25,26)19-10-4-16(2)5-11-19/h4-11,21H,3,12-15H2,1-2H3
InChIKeyRTFYJBZAFMNWSY-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.57
Rot. Bonds5

About N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide

N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 2988153) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID2988153
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-3-22-12-14-23(15-13-22)20(24)17-6-8-18(9-7-17)21-27(25,26)19-10-4-16(2)5-11-19/h4-11,21H,3,12-15H2,1-2H3
InChIKeyRTFYJBZAFMNWSY-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 30832859
N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 92673000
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 9336358
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
4-fluoro-N-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134014869
N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
N-(4-methylphenyl)-4-(2-oxo-1,7-diazaspiro[3.5]nonane-7-carbonyl)benzenesulfonamide
CID 51127963
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide (CID 2988153) is N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide is CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is RTFYJBZAFMNWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-22-12-14-23(15-13-22)20(24)17-6-8-18(9-7-17)21-27(25,26)19-10-4-16(2)5-11-19/h4-11,21H,3,12-15H2,1-2H3.
What are the key properties of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2988153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).