N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

C17H14F3NO2S3 — CID 31010892

IUPACN,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H14F3NO2S3/c18-17(19,20)13-4-1-7-16(10-13)26(22,23)21(11-14-5-2-8-24-14)12-15-6-3-9-25-15/h1-10H,11-12H2
InChIKeyXHJWJUUQTMDBOZ-UHFFFAOYSA-N
MW417.50 g/mol
LogP5.22
Rot. Bonds6

About N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 31010892) has the molecular formula C17H14F3NO2S3 and a molecular weight of 417.50 g/mol. Its IUPAC name is N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID31010892
Molecular FormulaC17H14F3NO2S3
Molecular Weight417.50 g/mol
Exact Mass417.01
IUPAC NameN,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H14F3NO2S3/c18-17(19,20)13-4-1-7-16(10-13)26(22,23)21(11-14-5-2-8-24-14)12-15-6-3-9-25-15/h1-10H,11-12H2
InChIKeyXHJWJUUQTMDBOZ-UHFFFAOYSA-N
XLogP5.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90495783
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1161660
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1161998
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-benzyl-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 5018950
N-benzyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649751
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4259657
N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545933
N-[(4-fluorophenyl)methyl]-2-[2-morpholin-4-ylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1031865
2-[butan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4535917
N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24628332

Frequently Asked Questions

What is the IUPAC name of N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 31010892) is N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XHJWJUUQTMDBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2S3/c18-17(19,20)13-4-1-7-16(10-13)26(22,23)21(11-14-5-2-8-24-14)12-15-6-3-9-25-15/h1-10H,11-12H2.
What are the key properties of N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 417.50 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 31010892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).