4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide

C15H16ClF3N2O2S2 — CID 55352604

IUPAC4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C15H16ClF3N2O2S2/c1-21(2)13(14-4-3-7-24-14)9-20-25(22,23)10-5-6-12(16)11(8-10)15(17,18)19/h3-8,13,20H,9H2,1-2H3
InChIKeyPQCBEDNATHICDF-UHFFFAOYSA-N
MW412.89 g/mol
LogP4.00
Rot. Bonds6

About 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 55352604) has the molecular formula C15H16ClF3N2O2S2 and a molecular weight of 412.89 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID55352604
Molecular FormulaC15H16ClF3N2O2S2
Molecular Weight412.89 g/mol
Exact Mass412.03
IUPAC Name4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C15H16ClF3N2O2S2/c1-21(2)13(14-4-3-7-24-14)9-20-25(22,23)10-5-6-12(16)11(8-10)15(17,18)19/h3-8,13,20H,9H2,1-2H3
InChIKeyPQCBEDNATHICDF-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 55331582
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
CID 51339573
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide
CID 112503236
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
CID 97046731
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 55352604) is 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PQCBEDNATHICDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2S2/c1-21(2)13(14-4-3-7-24-14)9-20-25(22,23)10-5-6-12(16)11(8-10)15(17,18)19/h3-8,13,20H,9H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 412.89 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55352604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).