4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride

C17H27ClFN3O2S — CID 119930553

IUPAC4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCN(CC2CCCNC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O2S.ClH/c18-15-3-5-17(6-4-15)24(22,23)20-16-7-10-21(11-8-16)13-14-2-1-9-19-12-14;/h3-6,14,16,19-20H,1-2,7-13H2;1H
InChIKeyROLRIIYMKBHVGV-UHFFFAOYSA-N
MW391.94 g/mol
LogP1.99
Rot. Bonds5

About 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride

4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride (PubChem CID 119930553) has the molecular formula C17H27ClFN3O2S and a molecular weight of 391.94 g/mol. Its IUPAC name is 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
PubChem CID119930553
Molecular FormulaC17H27ClFN3O2S
Molecular Weight391.94 g/mol
Exact Mass391.15
IUPAC Name4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCN(CC2CCCNC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O2S.ClH/c18-15-3-5-17(6-4-15)24(22,23)20-16-7-10-21(11-8-16)13-14-2-1-9-19-12-14;/h3-6,14,16,19-20H,1-2,7-13H2;1H
InChIKeyROLRIIYMKBHVGV-UHFFFAOYSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
CID 126769864
1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride
CID 119929786
7-methylsulfonyl-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120858501
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
CID 71685677
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119732712
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707154

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride (CID 119930553) is 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCN(CC2CCCNC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The InChIKey is ROLRIIYMKBHVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2S.ClH/c18-15-3-5-17(6-4-15)24(22,23)20-16-7-10-21(11-8-16)13-14-2-1-9-19-12-14;/h3-6,14,16,19-20H,1-2,7-13H2;1H.
What are the key properties of 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119930553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).