3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide

C19H25N4O3S+ — CID 7414536

IUPAC3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
SMILESC[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C19H24N4O3S/c1-22-10-12-23(13-11-22)21-19(24)17-8-5-9-18(14-17)27(25,26)20-15-16-6-3-2-4-7-16/h2-9,14,20H,10-13,15H2,1H3,(H,21,24)/p+1
InChIKeySFHGFLNDVXXNKE-UHFFFAOYSA-O
MW389.50 g/mol
LogP-0.36
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide

3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide (PubChem CID 7414536) has the molecular formula C19H25N4O3S+ and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
PubChem CID7414536
Molecular FormulaC19H25N4O3S+
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
SMILESC[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C19H24N4O3S/c1-22-10-12-23(13-11-22)21-19(24)17-8-5-9-18(14-17)27(25,26)20-15-16-6-3-2-4-7-16/h2-9,14,20H,10-13,15H2,1H3,(H,21,24)/p+1
InChIKeySFHGFLNDVXXNKE-UHFFFAOYSA-O
XLogP-0.36
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9204955
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
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3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
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N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
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3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
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3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
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3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-(4-methylpiperazin-4-ium-1-yl)-3-(trifluoromethyl)benzamide
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CID 119566712

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide (CID 7414536) is 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide is C[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide?
The InChIKey is SFHGFLNDVXXNKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4O3S/c1-22-10-12-23(13-11-22)21-19(24)17-8-5-9-18(14-17)27(25,26)20-15-16-6-3-2-4-7-16/h2-9,14,20H,10-13,15H2,1H3,(H,21,24)/p+1.
What are the key properties of 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide?
3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide has a molecular weight of 389.50 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide is sourced from PubChem (CID 7414536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).