2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide

C19H22FN3O3S — CID 119553054

IUPAC2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)ccc1F
InChIInChI=1S/C19H22FN3O3S/c1-13-11-15(7-8-17(13)20)27(25,26)22-18-6-4-3-5-16(18)19(24)23(2)14-9-10-21-12-14/h3-8,11,14,21-22H,9-10,12H2,1-2H3
InChIKeyLYSJYCMMJQZDEA-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.37
Rot. Bonds5

About 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119553054) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119553054
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)ccc1F
InChIInChI=1S/C19H22FN3O3S/c1-13-11-15(7-8-17(13)20)27(25,26)22-18-6-4-3-5-16(18)19(24)23(2)14-9-10-21-12-14/h3-8,11,14,21-22H,9-10,12H2,1-2H3
InChIKeyLYSJYCMMJQZDEA-UHFFFAOYSA-N
XLogP2.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551446
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 119554301
N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
CID 112812922
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552441
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113093646
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552011
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432581
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 119553054) is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide is Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is LYSJYCMMJQZDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-11-15(7-8-17(13)20)27(25,26)22-18-6-4-3-5-16(18)19(24)23(2)14-9-10-21-12-14/h3-8,11,14,21-22H,9-10,12H2,1-2H3.
What are the key properties of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide?
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119553054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).