3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide

C15H16ClF2N3O3S — CID 55681797

IUPAC3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cn1
InChIInChI=1S/C15H16ClF2N3O3S/c1-21(2)14-6-3-10(8-19-14)9-20-25(22,23)11-4-5-13(12(16)7-11)24-15(17)18/h3-8,15,20H,9H2,1-2H3
InChIKeySPTGNBZYKHPMSH-UHFFFAOYSA-N
MW391.83 g/mol
LogP2.88
Rot. Bonds7

About 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide

3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 55681797) has the molecular formula C15H16ClF2N3O3S and a molecular weight of 391.83 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID55681797
Molecular FormulaC15H16ClF2N3O3S
Molecular Weight391.83 g/mol
Exact Mass391.06
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cn1
InChIInChI=1S/C15H16ClF2N3O3S/c1-21(2)14-6-3-10(8-19-14)9-20-25(22,23)11-4-5-13(12(16)7-11)24-15(17)18/h3-8,15,20H,9H2,1-2H3
InChIKeySPTGNBZYKHPMSH-UHFFFAOYSA-N
XLogP2.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzene-1,3-disulfonamide
CID 55627731
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 55904028
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 55627601
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720121
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide
CID 55691585

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide (CID 55681797) is 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide is CN(C)c1ccc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is SPTGNBZYKHPMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O3S/c1-21(2)14-6-3-10(8-19-14)9-20-25(22,23)11-4-5-13(12(16)7-11)24-15(17)18/h3-8,15,20H,9H2,1-2H3.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 391.83 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55681797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).