4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C14H18N4O2S2 — CID 59466120

IUPAC4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1
InChIInChI=1S/C14H18N4O2S2/c1-11-10-18(8-6-15-11)12-2-4-13(5-3-12)22(19,20)17-14-16-7-9-21-14/h2-5,7,9,11,15H,6,8,10H2,1H3,(H,16,17)
InChIKeyFZNRYIAWHBERMN-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.74
Rot. Bonds4

About 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59466120) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59466120
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1
InChIInChI=1S/C14H18N4O2S2/c1-11-10-18(8-6-15-11)12-2-4-13(5-3-12)22(19,20)17-14-16-7-9-21-14/h2-5,7,9,11,15H,6,8,10H2,1H3,(H,16,17)
InChIKeyFZNRYIAWHBERMN-UHFFFAOYSA-N
XLogP1.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465914
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465896
4-(3-methylpiperazin-1-yl)benzenesulfonic acid
CID 22147067
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90767532
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161
4-[(3S)-3-(4-fluoroindol-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215446
1-(3,4-dimethylphenyl)piperazine;molecular hydrogen;4-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159211799
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 94450668
molecular hydrogen;4-[(3S)-2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159239343

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59466120) is 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1.
What is the InChIKey of 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FZNRYIAWHBERMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-11-10-18(8-6-15-11)12-2-4-13(5-3-12)22(19,20)17-14-16-7-9-21-14/h2-5,7,9,11,15H,6,8,10H2,1H3,(H,16,17).
What are the key properties of 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 338.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59466120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).