4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride

C14H21ClFN3O3S — CID 120818154

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCC1N.Cl
InChIInChI=1S/C14H20FN3O3S.ClH/c1-14(2)8-18(6-5-12(14)16)13(19)9-3-4-11(10(15)7-9)22(17,20)21;/h3-4,7,12H,5-6,8,16H2,1-2H3,(H2,17,20,21);1H
InChIKeyOTPKEWQHOHHTMO-UHFFFAOYSA-N
MW365.86 g/mol
LogP1.09
Rot. Bonds2

About 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120818154) has the molecular formula C14H21ClFN3O3S and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride
PubChem CID120818154
Molecular FormulaC14H21ClFN3O3S
Molecular Weight365.86 g/mol
Exact Mass365.10
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCC1N.Cl
InChIInChI=1S/C14H20FN3O3S.ClH/c1-14(2)8-18(6-5-12(14)16)13(19)9-3-4-11(10(15)7-9)22(17,20)21;/h3-4,7,12H,5-6,8,16H2,1-2H3,(H2,17,20,21);1H
InChIKeyOTPKEWQHOHHTMO-UHFFFAOYSA-N
XLogP1.09
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride (CID 120818154) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride is CC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCC1N.Cl.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is OTPKEWQHOHHTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S.ClH/c1-14(2)8-18(6-5-12(14)16)13(19)9-3-4-11(10(15)7-9)22(17,20)21;/h3-4,7,12H,5-6,8,16H2,1-2H3,(H2,17,20,21);1H.
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120818154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).