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

C16H15ClF3NO3S — CID 100513964

IUPAC3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H15ClF3NO3S/c1-3-21(12-6-4-11(5-7-12)16(18,19)20)25(22,23)13-8-9-15(24-2)14(17)10-13/h4-10H,3H2,1-2H3
InChIKeyUCQXQOZNBLPWMS-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.58
Rot. Bonds5

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

3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 100513964) has the molecular formula C16H15ClF3NO3S and a molecular weight of 393.81 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID100513964
Molecular FormulaC16H15ClF3NO3S
Molecular Weight393.81 g/mol
Exact Mass393.04
IUPAC Name3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H15ClF3NO3S/c1-3-21(12-6-4-11(5-7-12)16(18,19)20)25(22,23)13-8-9-15(24-2)14(17)10-13/h4-10H,3H2,1-2H3
InChIKeyUCQXQOZNBLPWMS-UHFFFAOYSA-N
XLogP4.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide
CID 100513742
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954
3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 100511297
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 92645661
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100513141
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid
CID 100513350
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 100513964) is 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is UCQXQOZNBLPWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3S/c1-3-21(12-6-4-11(5-7-12)16(18,19)20)25(22,23)13-8-9-15(24-2)14(17)10-13/h4-10H,3H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 393.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 100513964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).