4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide

C18H22FN3O3S — CID 120833202

IUPAC4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H22FN3O3S/c1-12-10-16(8-9-17(12)19)26(24,25)22-15-6-4-14(5-7-15)18(23)21-11-13(2)20-3/h4-10,13,20,22H,11H2,1-3H3,(H,21,23)
InChIKeyXRGMLZSOCPPDCC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.27
Rot. Bonds7

About 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide (PubChem CID 120833202) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
PubChem CID120833202
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H22FN3O3S/c1-12-10-16(8-9-17(12)19)26(24,25)22-15-6-4-14(5-7-15)18(23)21-11-13(2)20-3/h4-10,13,20,22H,11H2,1-3H3,(H,21,23)
InChIKeyXRGMLZSOCPPDCC-UHFFFAOYSA-N
XLogP2.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119995158
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24544277
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 25335428
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511031
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55370304
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 46512688

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide (CID 120833202) is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide?
The InChIKey is XRGMLZSOCPPDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-10-16(8-9-17(12)19)26(24,25)22-15-6-4-14(5-7-15)18(23)21-11-13(2)20-3/h4-10,13,20,22H,11H2,1-3H3,(H,21,23).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide?
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120833202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).