4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide

C11H16ClN3O2S — CID 785891

IUPAC4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H16ClN3O2S/c1-14-6-8-15(9-7-14)13-18(16,17)11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3
InChIKeyUHHAEGNMKQLDTD-UHFFFAOYSA-N
MW289.79 g/mol
LogP0.78
Rot. Bonds3

About 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide

4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 785891) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID785891
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H16ClN3O2S/c1-14-6-8-15(9-7-14)13-18(16,17)11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3
InChIKeyUHHAEGNMKQLDTD-UHFFFAOYSA-N
XLogP0.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorobenzenesulfonyl)piperazine
CID 801806
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
Benzenesulfonamide, p-chloro-N-(2-diethylaminoethyl)-
CID 208542
N,N-Dibutyl-4-chlorobenzenesulfonamide
CID 31385
4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314574
4-chloro-N-[1,1-dimethyl-2-(1-piperazinyl)ethyl]benzenesulfonamide
CID 768502
4-chloro-N-[1,1-dimethyl-2-(1-piperidinyl)ethyl]benzenesulfonamide
CID 786532
4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 965272
4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2214119
4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2222041
4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide
CID 2325556

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 785891) is 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide is CN1CCN(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is UHHAEGNMKQLDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-14-6-8-15(9-7-14)13-18(16,17)11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3.
What are the key properties of 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 289.79 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 785891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).