4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide

C19H25N5O5S2 — CID 99967016

IUPAC4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H25N5O5S2/c1-21-31(28,29)18-13-14(3-8-17(18)24-11-9-23(2)10-12-24)19(25)22-15-4-6-16(7-5-15)30(20,26)27/h3-8,13,21H,9-12H2,1-2H3,(H,22,25)(H2,20,26,27)
InChIKeySJMGYHXPLDGCJN-UHFFFAOYSA-N
MW467.57 g/mol
LogP0.25
Rot. Bonds6

About 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide

4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 99967016) has the molecular formula C19H25N5O5S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
PubChem CID99967016
Molecular FormulaC19H25N5O5S2
Molecular Weight467.57 g/mol
Exact Mass467.13
IUPAC Name4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H25N5O5S2/c1-21-31(28,29)18-13-14(3-8-17(18)24-11-9-23(2)10-12-24)19(25)22-15-4-6-16(7-5-15)30(20,26)27/h3-8,13,21H,9-12H2,1-2H3,(H,22,25)(H2,20,26,27)
InChIKeySJMGYHXPLDGCJN-UHFFFAOYSA-N
XLogP0.25
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-iodophenyl)-4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)benzamide
CID 99966997
N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 99967022
N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 99967029
3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 156599254
N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride
CID 21430500
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide
CID 35328187
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
CID 26654878
methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
CID 59762981
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
4-(4-methylpiperazin-1-yl)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 21430444

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide (CID 99967016) is 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CCN(C)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is SJMGYHXPLDGCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S2/c1-21-31(28,29)18-13-14(3-8-17(18)24-11-9-23(2)10-12-24)19(25)22-15-4-6-16(7-5-15)30(20,26)27/h3-8,13,21H,9-12H2,1-2H3,(H,22,25)(H2,20,26,27).
What are the key properties of 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide?
4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 467.57 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 99967016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).