4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

C19H20N4O2S — CID 11660670

IUPAC4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCCc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2S/c1-2-3-14-4-6-15(7-5-14)18-12-13-21-19(23-18)22-16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyXWRZQVRHIUNASZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.49
Rot. Bonds6

About 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 11660670) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID11660670
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCCc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2S/c1-2-3-14-4-6-15(7-5-14)18-12-13-21-19(23-18)22-16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyXWRZQVRHIUNASZ-UHFFFAOYSA-N
XLogP3.49
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11688891
4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 134146398
4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 22273547
4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58482950
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 69133156
4-[[4-[[4-[(dimethylsulfamoylamino)methyl]phenyl]methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 121282010
4-[[4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10114338
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 11660670) is 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide is CCCc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is XWRZQVRHIUNASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-3-14-4-6-15(7-5-14)18-12-13-21-19(23-18)22-16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)(H,21,22,23).
What are the key properties of 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11660670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).