N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide

C23H30ClN3O4S — CID 11837025

IUPACN-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1
InChIInChI=1S/C23H30ClN3O4S/c1-4-18(3)25-32(29,30)21-9-7-20(8-10-21)31-16-23(28)27-13-11-26(12-14-27)22-15-19(24)6-5-17(22)2/h5-10,15,18,25H,4,11-14,16H2,1-3H3
InChIKeyWHAARYSJRXMWEA-UHFFFAOYSA-N
MW480.03 g/mol
LogP3.45
Rot. Bonds8

About N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide

N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide (PubChem CID 11837025) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
PubChem CID11837025
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC NameN-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1
InChIInChI=1S/C23H30ClN3O4S/c1-4-18(3)25-32(29,30)21-9-7-20(8-10-21)31-16-23(28)27-13-11-26(12-14-27)22-15-19(24)6-5-17(22)2/h5-10,15,18,25H,4,11-14,16H2,1-3H3
InChIKeyWHAARYSJRXMWEA-UHFFFAOYSA-N
XLogP3.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 45375502
4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 126204977
N-[(2R)-butan-2-yl]-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 126210865
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 4647066
N-[4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 43888534
4-bromo-N-[(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 126371757
ethyl 1-[2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 126199408
N-benzyl-N-[4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]methanesulfonamide
CID 30129081
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952
N-[4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 43888578
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 126211529

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide (CID 11837025) is N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1.
What is the InChIKey of N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The InChIKey is WHAARYSJRXMWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-4-18(3)25-32(29,30)21-9-7-20(8-10-21)31-16-23(28)27-13-11-26(12-14-27)22-15-19(24)6-5-17(22)2/h5-10,15,18,25H,4,11-14,16H2,1-3H3.
What are the key properties of N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide has a molecular weight of 480.03 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 11837025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).