N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide

C16H23N5O3S — CID 10808841

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1N1CCN(C)CC1
InChIInChI=1S/C16H23N5O3S/c1-19-6-8-21(9-7-19)14-10-13(4-5-15(14)24-3)18-25(22,23)16-11-20(2)12-17-16/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyWPXAKOKXJWQZFU-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.98
Rot. Bonds5

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 10808841) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID10808841
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1N1CCN(C)CC1
InChIInChI=1S/C16H23N5O3S/c1-19-6-8-21(9-7-19)14-10-13(4-5-15(14)24-3)18-25(22,23)16-11-20(2)12-17-16/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyWPXAKOKXJWQZFU-UHFFFAOYSA-N
XLogP0.98
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide (CID 10808841) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is WPXAKOKXJWQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-19-6-8-21(9-7-19)14-10-13(4-5-15(14)24-3)18-25(22,23)16-11-20(2)12-17-16/h4-5,10-12,18H,6-9H2,1-3H3.
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 10808841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).