3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C15H13ClF3NO3S — CID 100513954

IUPAC3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c1-20(11-5-3-10(4-6-11)15(17,18)19)24(21,22)12-7-8-14(23-2)13(16)9-12/h3-9H,1-2H3
InChIKeyYFXBESYMGXOTMH-UHFFFAOYSA-N
MW379.79 g/mol
LogP4.19
Rot. Bonds4

About 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 100513954) has the molecular formula C15H13ClF3NO3S and a molecular weight of 379.79 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID100513954
Molecular FormulaC15H13ClF3NO3S
Molecular Weight379.79 g/mol
Exact Mass379.03
IUPAC Name3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c1-20(11-5-3-10(4-6-11)15(17,18)19)24(21,22)12-7-8-14(23-2)13(16)9-12/h3-9H,1-2H3
InChIKeyYFXBESYMGXOTMH-UHFFFAOYSA-N
XLogP4.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513964
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide
CID 100513742
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 92645661
N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 99628913
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100513141
3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 100514963
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 100513954) is 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is YFXBESYMGXOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO3S/c1-20(11-5-3-10(4-6-11)15(17,18)19)24(21,22)12-7-8-14(23-2)13(16)9-12/h3-9H,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 379.79 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 100513954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).