N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide

C18H20ClF2N3O4S — CID 67135896

IUPACN-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2cccc(OC(F)F)c2)cc1N1CCNCC1
InChIInChI=1S/C18H20ClF2N3O4S/c1-27-17-10-14(19)15(11-16(17)24-7-5-22-6-8-24)23-29(25,26)13-4-2-3-12(9-13)28-18(20)21/h2-4,9-11,18,22-23H,5-8H2,1H3
InChIKeyJRRFODJYTCHLDG-UHFFFAOYSA-N
MW447.89 g/mol
LogP3.16
Rot. Bonds7

About N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide

N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide (PubChem CID 67135896) has the molecular formula C18H20ClF2N3O4S and a molecular weight of 447.89 g/mol. Its IUPAC name is N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide
PubChem CID67135896
Molecular FormulaC18H20ClF2N3O4S
Molecular Weight447.89 g/mol
Exact Mass447.08
IUPAC NameN-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2cccc(OC(F)F)c2)cc1N1CCNCC1
InChIInChI=1S/C18H20ClF2N3O4S/c1-27-17-10-14(19)15(11-16(17)24-7-5-22-6-8-24)23-29(25,26)13-4-2-3-12(9-13)28-18(20)21/h2-4,9-11,18,22-23H,5-8H2,1H3
InChIKeyJRRFODJYTCHLDG-UHFFFAOYSA-N
XLogP3.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.89
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 66744407
N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide
CID 56654455
N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333714
N-[(2S)-butan-2-yl]-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872300
N-(2-tert-butylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354562
3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 22272475
N-[5-bromo-2-(2,2-difluoroethanimidoyl)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 155371429
4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 57334668
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
1-[5-[3-(difluoromethoxy)phenyl]sulfonyl-2-methoxyphenyl]-4-(3-fluoropropyl)piperazine
CID 74223233
N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide
CID 68950178
N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide
CID 151758566

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide (CID 67135896) is N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide is COc1cc(Cl)c(NS(=O)(=O)c2cccc(OC(F)F)c2)cc1N1CCNCC1.
What is the InChIKey of N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide?
The InChIKey is JRRFODJYTCHLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N3O4S/c1-27-17-10-14(19)15(11-16(17)24-7-5-22-6-8-24)23-29(25,26)13-4-2-3-12(9-13)28-18(20)21/h2-4,9-11,18,22-23H,5-8H2,1H3.
What are the key properties of N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide?
N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide has a molecular weight of 447.89 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 67135896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).