3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride

C14H20Cl2F2N2O3S — CID 120720121

IUPAC3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C14H19ClF2N2O3S.ClH/c1-14(4-6-18-7-5-14)9-19-23(20,21)10-2-3-12(11(15)8-10)22-13(16)17;/h2-3,8,13,18-19H,4-7,9H2,1H3;1H
InChIKeyYZUFWGLWILCRHR-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.03
Rot. Bonds6

About 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride

3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 120720121) has the molecular formula C14H20Cl2F2N2O3S and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
PubChem CID120720121
Molecular FormulaC14H20Cl2F2N2O3S
Molecular Weight405.29 g/mol
Exact Mass404.05
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C14H19ClF2N2O3S.ClH/c1-14(4-6-18-7-5-14)9-19-23(20,21)10-2-3-12(11(15)8-10)22-13(16)17;/h2-3,8,13,18-19H,4-7,9H2,1H3;1H
InChIKeyYZUFWGLWILCRHR-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720362
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120720689
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride (CID 120720121) is 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CCNCC1.Cl.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is YZUFWGLWILCRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O3S.ClH/c1-14(4-6-18-7-5-14)9-19-23(20,21)10-2-3-12(11(15)8-10)22-13(16)17;/h2-3,8,13,18-19H,4-7,9H2,1H3;1H.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 405.29 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).