N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline

C18H21FN2O2S — CID 110826359

IUPACN-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
SMILESO=S(=O)(c1ccc(NCc2ccccc2F)cc1)N1CCCCC1
InChIInChI=1S/C18H21FN2O2S/c19-18-7-3-2-6-15(18)14-20-16-8-10-17(11-9-16)24(22,23)21-12-4-1-5-13-21/h2-3,6-11,20H,1,4-5,12-14H2
InChIKeyDHPDNEMTQUMACN-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.61
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline

N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline (PubChem CID 110826359) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
PubChem CID110826359
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
SMILESO=S(=O)(c1ccc(NCc2ccccc2F)cc1)N1CCCCC1
InChIInChI=1S/C18H21FN2O2S/c19-18-7-3-2-6-15(18)14-20-16-8-10-17(11-9-16)24(22,23)21-12-4-1-5-13-21/h2-3,6-11,20H,1,4-5,12-14H2
InChIKeyDHPDNEMTQUMACN-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
3-(2-fluorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737007
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium
CID 8517809
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8517812
N-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 27535125
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
CID 735445
1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 24636962
4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 78818466

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline (CID 110826359) is N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline is O=S(=O)(c1ccc(NCc2ccccc2F)cc1)N1CCCCC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline?
The InChIKey is DHPDNEMTQUMACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c19-18-7-3-2-6-15(18)14-20-16-8-10-17(11-9-16)24(22,23)21-12-4-1-5-13-21/h2-3,6-11,20H,1,4-5,12-14H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline?
N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline has a molecular weight of 348.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 110826359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).