N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide

C16H11ClF3N3O4S3 — CID 57382886

IUPACN-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccnc1NS(=O)(=O)c1cccs1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N3O4S3/c17-12-6-5-10(9-11(12)16(18,19)20)29(24,25)22-13-3-1-7-21-15(13)23-30(26,27)14-4-2-8-28-14/h1-9,22H,(H,21,23)
InChIKeyUNKGLROROYOMAP-UHFFFAOYSA-N
MW497.93 g/mol
LogP4.42
Rot. Bonds6

About N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide

N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 57382886) has the molecular formula C16H11ClF3N3O4S3 and a molecular weight of 497.93 g/mol. Its IUPAC name is N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID57382886
Molecular FormulaC16H11ClF3N3O4S3
Molecular Weight497.93 g/mol
Exact Mass496.96
IUPAC NameN-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccnc1NS(=O)(=O)c1cccs1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N3O4S3/c17-12-6-5-10(9-11(12)16(18,19)20)29(24,25)22-13-3-1-7-21-15(13)23-30(26,27)14-4-2-8-28-14/h1-9,22H,(H,21,23)
InChIKeyUNKGLROROYOMAP-UHFFFAOYSA-N
XLogP4.42
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.93
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
N-[2-chloro-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 971753
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
N-[3-(trifluoromethyl)-2-pyridinyl]naphthalene-2-sulfonamide
CID 167877527
N-(2-chloro-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61132271
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;methyl 3-aminopyridine-2-carboxylate
CID 158900667
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide (CID 57382886) is N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccnc1NS(=O)(=O)c1cccs1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is UNKGLROROYOMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O4S3/c17-12-6-5-10(9-11(12)16(18,19)20)29(24,25)22-13-3-1-7-21-15(13)23-30(26,27)14-4-2-8-28-14/h1-9,22H,(H,21,23).
What are the key properties of N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide?
N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 497.93 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 57382886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).