N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide

C14H11ClF3NO4S — CID 8523422

IUPACN-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C14H11ClF3NO4S/c1-22-13-7-2-9(8-12(13)15)19-24(20,21)11-5-3-10(4-6-11)23-14(16,17)18/h2-8,19H,1H3
InChIKeySVEMTGKXGHHHBF-UHFFFAOYSA-N
MW381.76 g/mol
LogP4.05
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 8523422) has the molecular formula C14H11ClF3NO4S and a molecular weight of 381.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID8523422
Molecular FormulaC14H11ClF3NO4S
Molecular Weight381.76 g/mol
Exact Mass381.00
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C14H11ClF3NO4S/c1-22-13-7-2-9(8-12(13)15)19-24(20,21)11-5-3-10(4-6-11)23-14(16,17)18/h2-8,19H,1H3
InChIKeySVEMTGKXGHHHBF-UHFFFAOYSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 36514229
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18180114
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873449
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 8523422) is N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SVEMTGKXGHHHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO4S/c1-22-13-7-2-9(8-12(13)15)19-24(20,21)11-5-3-10(4-6-11)23-14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 381.76 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 8523422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).