N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide

C18H20FN3O3S — CID 90044723

IUPACN-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCNC3)c2)ccc1F
InChIInChI=1S/C18H20FN3O3S/c1-12-9-14(5-6-17(12)19)21-18(23)13-3-2-4-16(10-13)26(24,25)22-15-7-8-20-11-15/h2-6,9-10,15,20,22H,7-8,11H2,1H3,(H,21,23)
InChIKeyXWTAKXDGBYHWGP-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.03
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide

N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide (PubChem CID 90044723) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
PubChem CID90044723
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCNC3)c2)ccc1F
InChIInChI=1S/C18H20FN3O3S/c1-12-9-14(5-6-17(12)19)21-18(23)13-3-2-4-16(10-13)26(24,25)22-15-7-8-20-11-15/h2-6,9-10,15,20,22H,7-8,11H2,1H3,(H,21,23)
InChIKeyXWTAKXDGBYHWGP-UHFFFAOYSA-N
XLogP2.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide
CID 118396967
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen
CID 144581823
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450676
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075245
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 119967297
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide (CID 90044723) is N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCNC3)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide?
The InChIKey is XWTAKXDGBYHWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-12-9-14(5-6-17(12)19)21-18(23)13-3-2-4-16(10-13)26(24,25)22-15-7-8-20-11-15/h2-6,9-10,15,20,22H,7-8,11H2,1H3,(H,21,23).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide?
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 90044723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).