N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide

C18H21FN2O2S — CID 112980658

IUPACN-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC3CCCC3)cc2)ccc1F
InChIInChI=1S/C18H21FN2O2S/c1-13-12-17(10-11-18(13)19)24(22,23)21-16-8-6-15(7-9-16)20-14-4-2-3-5-14/h6-12,14,20-21H,2-5H2,1H3
InChIKeyHWMUOEYXCKIDFP-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.29
Rot. Bonds5

About N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide

N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 112980658) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID112980658
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC3CCCC3)cc2)ccc1F
InChIInChI=1S/C18H21FN2O2S/c1-13-12-17(10-11-18(13)19)24(22,23)21-16-8-6-15(7-9-16)20-14-4-2-3-5-14/h6-12,14,20-21H,2-5H2,1H3
InChIKeyHWMUOEYXCKIDFP-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 110732433
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450676
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
N-[4-(cycloheptylamino)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112985026
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide (CID 112980658) is N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(NC3CCCC3)cc2)ccc1F.
What is the InChIKey of N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is HWMUOEYXCKIDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-13-12-17(10-11-18(13)19)24(22,23)21-16-8-6-15(7-9-16)20-14-4-2-3-5-14/h6-12,14,20-21H,2-5H2,1H3.
What are the key properties of N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 348.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 112980658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).