3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide

C49H73N11O12S6 — CID 157132423

IUPAC3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccn1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cn1.CC(C)c1ccc(S(N)(=O)=O)nc1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ncc(S(N)(=O)=O)cn1
InChIInChI=1S/2C9H13NO2S.3C8H12N2O2S.C7H11N3O2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-5-7(3-4-10-8)13(9,11)12;1-6(2)8-4-3-7(5-10-8)13(9,11)12;1-6(2)7-3-4-8(10-5-7)13(9,11)12;1-5(2)7-9-3-6(4-10-7)13(8,11)12/h2*3-7H,1-2H3,(H2,10,11,12);3*3-6H,1-2H3,(H2,9,11,12);3-5H,1-2H3,(H2,8,11,12)
InChIKeyAJFNOYOECLAAJN-UHFFFAOYSA-N
MW1200.59 g/mol
LogP5.72
Rot. Bonds12

About 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide

3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 157132423) has the molecular formula C49H73N11O12S6 and a molecular weight of 1200.59 g/mol. Its IUPAC name is 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide
PubChem CID157132423
Molecular FormulaC49H73N11O12S6
Molecular Weight1200.59 g/mol
Exact Mass1199.38
IUPAC Name3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccn1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cn1.CC(C)c1ccc(S(N)(=O)=O)nc1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ncc(S(N)(=O)=O)cn1
InChIInChI=1S/2C9H13NO2S.3C8H12N2O2S.C7H11N3O2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-5-7(3-4-10-8)13(9,11)12;1-6(2)8-4-3-7(5-10-8)13(9,11)12;1-6(2)7-3-4-8(10-5-7)13(9,11)12;1-5(2)7-9-3-6(4-10-7)13(8,11)12/h2*3-7H,1-2H3,(H2,10,11,12);3*3-6H,1-2H3,(H2,9,11,12);3-5H,1-2H3,(H2,8,11,12)
InChIKeyAJFNOYOECLAAJN-UHFFFAOYSA-N
XLogP5.72
TPSA425.41 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001200.59
LogP ≤ 55.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[4-[2-(4-Propan-2-ylphenyl)-3-pyridinyl]piperazin-1-yl]sulfonylphenyl]pyrimidin-2-amine
CID 60155376
3-[4-Phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
CID 24959754
3-[4-Phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
CID 24959755
3-[5-Phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 25003669
3-[5-Phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 25004024
3-[6-{4-[5-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 25004369
3-{4-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonamide
CID 25097447
3'-[4-Methyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-biphenyl-3-sulfonic acid amide
CID 25097718
3-{4-[4-Difluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonamide
CID 25097721
3-[6-[4-Methyl-6-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-yl]pyridin-2-yl]benzenesulfonamide
CID 25098001
3-{6-[4-Methyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonamide
CID 25098002
3-{4-[4-Methyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonamide
CID 25098270

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide (CID 157132423) is 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide is CC(C)c1cc(S(N)(=O)=O)ccn1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cn1.CC(C)c1ccc(S(N)(=O)=O)nc1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ncc(S(N)(=O)=O)cn1.
What is the InChIKey of 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is AJFNOYOECLAAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13NO2S.3C8H12N2O2S.C7H11N3O2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-5-7(3-4-10-8)13(9,11)12;1-6(2)8-4-3-7(5-10-8)13(9,11)12;1-6(2)7-3-4-8(10-5-7)13(9,11)12;1-5(2)7-9-3-6(4-10-7)13(8,11)12/h2*3-7H,1-2H3,(H2,10,11,12);3*3-6H,1-2H3,(H2,9,11,12);3-5H,1-2H3,(H2,8,11,12).
What are the key properties of 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide?
3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 1200.59 g/mol, XLogP of 5.72, 12 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 157132423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).