4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide

C15H11ClF5NO4S — CID 36513836

IUPAC4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC(F)F
InChIInChI=1S/C15H11ClF5NO4S/c1-25-12-5-2-8(6-13(12)26-14(17)18)22-27(23,24)9-3-4-11(16)10(7-9)15(19,20)21/h2-7,14,22H,1H3
InChIKeyXOGBVGUXDNZXTL-UHFFFAOYSA-N
MW431.77 g/mol
LogP4.77
Rot. Bonds6

About 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 36513836) has the molecular formula C15H11ClF5NO4S and a molecular weight of 431.77 g/mol. Its IUPAC name is 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID36513836
Molecular FormulaC15H11ClF5NO4S
Molecular Weight431.77 g/mol
Exact Mass431.00
IUPAC Name4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC(F)F
InChIInChI=1S/C15H11ClF5NO4S/c1-25-12-5-2-8(6-13(12)26-14(17)18)22-27(23,24)9-3-4-11(16)10(7-9)15(19,20)21/h2-7,14,22H,1H3
InChIKeyXOGBVGUXDNZXTL-UHFFFAOYSA-N
XLogP4.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 36514229
2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 126190415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide;hydrochloride
CID 141402553
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 27658187
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100666453
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 21367107
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 36513836) is 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC(F)F.
What is the InChIKey of 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XOGBVGUXDNZXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF5NO4S/c1-25-12-5-2-8(6-13(12)26-14(17)18)22-27(23,24)9-3-4-11(16)10(7-9)15(19,20)21/h2-7,14,22H,1H3.
What are the key properties of 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 431.77 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 36513836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).