2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

C18H22N4O3S — CID 119946832

IUPAC2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3N)c2)CC1
InChIInChI=1S/C18H22N4O3S/c1-21-9-11-22(12-10-21)26(24,25)15-6-4-5-14(13-15)20-18(23)16-7-2-3-8-17(16)19/h2-8,13H,9-12,19H2,1H3,(H,20,23)
InChIKeyIXSQZJZIZGMYSY-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 119946832) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID119946832
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3N)c2)CC1
InChIInChI=1S/C18H22N4O3S/c1-21-9-11-22(12-10-21)26(24,25)15-6-4-5-14(13-15)20-18(23)16-7-2-3-8-17(16)19/h2-8,13H,9-12,19H2,1H3,(H,20,23)
InChIKeyIXSQZJZIZGMYSY-UHFFFAOYSA-N
XLogP1.46
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
CID 119946153
6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 60581974
3-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]benzamide;dihydrochloride
CID 119876383
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 119946832) is 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3N)c2)CC1.
What is the InChIKey of 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is IXSQZJZIZGMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-21-9-11-22(12-10-21)26(24,25)15-6-4-5-14(13-15)20-18(23)16-7-2-3-8-17(16)19/h2-8,13H,9-12,19H2,1H3,(H,20,23).
What are the key properties of 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 119946832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).